34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene

C225H156N30O — CID 160951708

IUPAC34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2ccc4c(c2n31)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2c1ccc1nc3n(c4cccc5c4n3c3nc4ccc6c(c4n53)C(C)(C)c3ccccc3-6)c21.CC1(C)c2ccccc2-c2cc3c(cc21)nc1n3c2cccc3c2n1c1nc2ccc4c(c2n31)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2cc3nc4n(c3cc21)c1cccc2c1n4c1nc3ccc4c(c3n21)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3c(nc4n3c3cccc5c3n4c3nc4c6oc7ccccc7c6ccc4n53)c21.CC1(C)c2ccccc2-c2ccc3nc4n(c5cccc6c5n4c4nc5ccc7c(c5n64)C(C)(C)c4ccccc4-7)c3c21
InChIInChI=1S/5C38H27N5.C35H21N5O/c1-37(2)24-12-7-6-11-21(24)23-18-31-28(19-26(23)37)40-35-41(31)29-14-9-15-30-34(29)43(35)36-39-27-17-16-22-20-10-5-8-13-25(20)38(3,4)32(22)33(27)42(30)36;1-37(2)24-12-7-6-11-21(24)23-18-28-31(19-26(23)37)41-29-14-9-15-30-34(29)43(35(41)40-28)36-39-27-17-16-22-20-10-5-8-13-25(20)38(3,4)32(22)33(27)42(30)36;1-37(2)24-13-8-6-11-22(24)30-25(37)17-19-26-32(30)41-28-14-9-15-29-34(28)43(35(41)39-26)36-40-27-18-16-21-20-10-5-7-12-23(20)38(3,4)31(21)33(27)42(29)36;1-37(2)24-13-8-6-11-22(24)30-25(37)17-19-27-32(30)40-36-41(27)28-14-9-15-29-34(28)43(36)35-39-26-18-16-21-20-10-5-7-12-23(20)38(3,4)31(21)33(26)42(29)35;1-37(2)24-12-7-5-10-20(24)22-16-18-26-32(30(22)37)41-28-14-9-15-29-34(28)43(35(41)39-26)36-40-27-19-17-23-21-11-6-8-13-25(21)38(3,4)31(23)33(27)42(29)36;1-35(2)22-10-5-3-8-18(22)20-14-16-23-29(28(20)35)36-33-38(23)25-11-7-12-26-31(25)40(33)34-37-30-24(39(26)34)17-15-21-19-9-4-6-13-27(19)41-32(21)30/h5*5-19H,1-4H3;3-17H,1-2H3
InChIKeySVVQEBUQXCMVES-UHFFFAOYSA-N
MW3295.93 g/mol
LogP52.06
Rot. Bonds

About 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene

34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene (PubChem CID 160951708) has the molecular formula C225H156N30O and a molecular weight of 3295.93 g/mol. Its IUPAC name is 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene.

Molecular Properties

Compound Name34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene
PubChem CID160951708
Molecular FormulaC225H156N30O
Molecular Weight3295.93 g/mol
Exact Mass3293.31
IUPAC Name34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2ccc4c(c2n31)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2c1ccc1nc3n(c4cccc5c4n3c3nc4ccc6c(c4n53)C(C)(C)c3ccccc3-6)c21.CC1(C)c2ccccc2-c2cc3c(cc21)nc1n3c2cccc3c2n1c1nc2ccc4c(c2n31)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2cc3nc4n(c3cc21)c1cccc2c1n4c1nc3ccc4c(c3n21)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3c(nc4n3c3cccc5c3n4c3nc4c6oc7ccccc7c6ccc4n53)c21.CC1(C)c2ccccc2-c2ccc3nc4n(c5cccc6c5n4c4nc5ccc7c(c5n64)C(C)(C)c4ccccc4-7)c3c21
InChIInChI=1S/5C38H27N5.C35H21N5O/c1-37(2)24-12-7-6-11-21(24)23-18-31-28(19-26(23)37)40-35-41(31)29-14-9-15-30-34(29)43(35)36-39-27-17-16-22-20-10-5-8-13-25(20)38(3,4)32(22)33(27)42(30)36;1-37(2)24-12-7-6-11-21(24)23-18-28-31(19-26(23)37)41-29-14-9-15-30-34(29)43(35(41)40-28)36-39-27-17-16-22-20-10-5-8-13-25(20)38(3,4)32(22)33(27)42(30)36;1-37(2)24-13-8-6-11-22(24)30-25(37)17-19-26-32(30)41-28-14-9-15-29-34(28)43(35(41)39-26)36-40-27-18-16-21-20-10-5-7-12-23(20)38(3,4)31(21)33(27)42(29)36;1-37(2)24-13-8-6-11-22(24)30-25(37)17-19-27-32(30)40-36-41(27)28-14-9-15-29-34(28)43(36)35-39-26-18-16-21-20-10-5-7-12-23(20)38(3,4)31(21)33(26)42(29)35;1-37(2)24-12-7-5-10-20(24)22-16-18-26-32(30(22)37)41-28-14-9-15-29-34(28)43(35(41)39-26)36-40-27-19-17-23-21-11-6-8-13-25(21)38(3,4)31(23)33(27)42(29)36;1-35(2)22-10-5-3-8-18(22)20-14-16-23-29(28(20)35)36-33-38(23)25-11-7-12-26-31(25)40(33)34-37-30-24(39(26)34)17-15-21-19-9-4-6-13-27(19)41-32(21)30/h5*5-19H,1-4H3;3-17H,1-2H3
InChIKeySVVQEBUQXCMVES-UHFFFAOYSA-N
XLogP52.06
TPSA247.20 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003295.93
LogP ≤ 552.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene with MolForge

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Related Compounds

7,7,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),26,28,30,34,37-heptadecaene
CID 146652531
12,12-dimethyl-27-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.026,34.028,33]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25,28,30,32,34,37-heptadecaene
CID 146652406
25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene
CID 146651882
6,33-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.026,34.027,32]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27,29,31,34,37-heptadecaene
CID 146651899
19-[5-(9,9-dimethylfluoren-2-yl)benzo[10]annulen-12-yl]-23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 163592615
7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran;12,12-dimethylfluoreno[1,2-b][1]benzofuran;12,12-dimethylfluoreno[2,1-b][1]benzofuran
CID 159580171
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
9-dibenzofuran-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzofuran-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzofuran-2-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzofuran-2-yl-12,12-dimethylindeno[1,2-c]carbazole
CID 159024447
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
CID 160748906
3-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 71037140
3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122524244
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519

Frequently Asked Questions

What is the IUPAC name of 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene?
The IUPAC name of 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene (CID 160951708) is 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene.
What is the SMILES notation for 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene?
The canonical SMILES for 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene is CC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2ccc4c(c2n31)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2c1ccc1nc3n(c4cccc5c4n3c3nc4ccc6c(c4n53)C(C)(C)c3ccccc3-6)c21.CC1(C)c2ccccc2-c2cc3c(cc21)nc1n3c2cccc3c2n1c1nc2ccc4c(c2n31)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2cc3nc4n(c3cc21)c1cccc2c1n4c1nc3ccc4c(c3n21)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3c(nc4n3c3cccc5c3n4c3nc4c6oc7ccccc7c6ccc4n53)c21.CC1(C)c2ccccc2-c2ccc3nc4n(c5cccc6c5n4c4nc5ccc7c(c5n64)C(C)(C)c4ccccc4-7)c3c21.
What is the InChIKey of 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene?
The InChIKey is SVVQEBUQXCMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/5C38H27N5.C35H21N5O/c1-37(2)24-12-7-6-11-21(24)23-18-31-28(19-26(23)37)40-35-41(31)29-14-9-15-30-34(29)43(35)36-39-27-17-16-22-20-10-5-8-13-25(20)38(3,4)32(22)33(27)42(30)36;1-37(2)24-12-7-6-11-21(24)23-18-28-31(19-26(23)37)41-29-14-9-15-30-34(29)43(35(41)40-28)36-39-27-17-16-22-20-10-5-8-13-25(20)38(3,4)32(22)33(27)42(30)36;1-37(2)24-13-8-6-11-22(24)30-25(37)17-19-26-32(30)41-28-14-9-15-29-34(28)43(35(41)39-26)36-40-27-18-16-21-20-10-5-7-12-23(20)38(3,4)31(21)33(27)42(29)36;1-37(2)24-13-8-6-11-22(24)30-25(37)17-19-27-32(30)40-36-41(27)28-14-9-15-29-34(28)43(36)35-39-26-18-16-21-20-10-5-7-12-23(20)38(3,4)31(21)33(26)42(29)35;1-37(2)24-12-7-5-10-20(24)22-16-18-26-32(30(22)37)41-28-14-9-15-29-34(28)43(35(41)39-26)36-40-27-19-17-23-21-11-6-8-13-25(21)38(3,4)31(23)33(27)42(29)36;1-35(2)22-10-5-3-8-18(22)20-14-16-23-29(28(20)35)36-33-38(23)25-11-7-12-26-31(25)40(33)34-37-30-24(39(26)34)17-15-21-19-9-4-6-13-27(19)41-32(21)30/h5*5-19H,1-4H3;3-17H,1-2H3.
What are the key properties of 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene?
34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene has a molecular weight of 3295.93 g/mol, XLogP of 52.06, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 34,34-dimethyl-6-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.027,35.028,33]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27(35),28,30,32,37-heptadecaene;7,7,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;12,12,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;13,13,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.07,12.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7,9,11,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,26,26-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,7(15),8,10,12,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene;14,14,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.07,15.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,7(15),8,10,12,18,20,22(39),24(36),25(33),26,28,30,34,37-heptadecaene is sourced from PubChem (CID 160951708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).