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

C38H27N5 — CID 146652531

IUPAC7,7,32,32-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)nc1n3c2cccc3c2n1c1nc2ccc4c(c2n31)-c1ccccc1C4(C)C
InChIInChI=1S/C38H27N5/c1-37(2)24-13-8-6-11-21(24)32-25(37)16-17-27-33(32)42-30-15-9-14-29-34(30)43(36(42)39-27)35-40-28-19-26-22(18-31(28)41(29)35)20-10-5-7-12-23(20)38(26,3)4/h5-19H,1-4H3
InChIKeyDPFTURMWRMPXCK-UHFFFAOYSA-N
MW553.67 g/mol
LogP8.74
Rot. Bonds

About 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

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 (PubChem CID 146652531) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7,32,32-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
PubChem CID146652531
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name7,7,32,32-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)nc1n3c2cccc3c2n1c1nc2ccc4c(c2n31)-c1ccccc1C4(C)C
InChIInChI=1S/C38H27N5/c1-37(2)24-13-8-6-11-21(24)32-25(37)16-17-27-33(32)42-30-15-9-14-29-34(30)43(36(42)39-27)35-40-28-19-26-22(18-31(28)41(29)35)20-10-5-7-12-23(20)38(26,3)4/h5-19H,1-4H3
InChIKeyDPFTURMWRMPXCK-UHFFFAOYSA-N
XLogP8.74
TPSA39.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

12,12,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),26,28,30,34,37-heptadecaene
CID 146652535
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
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
13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
CID 146652303
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
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
14,14,36,36-tetramethyl-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 138745246
16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one
CID 156870680
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
CID 139506238
21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577808
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)nc1n3c2cccc3c2n1c1nc2ccc4c(c2n31)-c1ccccc1C4(C)C.
What is the InChIKey of 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?
The InChIKey is DPFTURMWRMPXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-37(2)24-13-8-6-11-21(24)32-25(37)16-17-27-33(32)42-30-15-9-14-29-34(30)43(36(42)39-27)35-40-28-19-26-22(18-31(28)41(29)35)20-10-5-7-12-23(20)38(26,3)4/h5-19H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 553.67 g/mol, XLogP of 8.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146652531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).