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

C38H27N5 — CID 146652535

IUPAC12,12,32,32-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2ccc4c(c2n31)-c1ccccc1C4(C)C
InChIInChI=1S/C38H27N5/c1-37(2)22-12-7-5-10-20(22)30-24(37)17-19-27-32(30)40-36-41(27)28-14-9-15-29-34(28)43(36)35-39-26-18-16-25-31(33(26)42(29)35)21-11-6-8-13-23(21)38(25,3)4/h5-19H,1-4H3
InChIKeyDKAGIRGUISIJOT-UHFFFAOYSA-N
MW553.67 g/mol
LogP8.74
Rot. Bonds

About 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

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 (PubChem CID 146652535) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12,32,32-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
PubChem CID146652535
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name12,12,32,32-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2ccc4c(c2n31)-c1ccccc1C4(C)C
InChIInChI=1S/C38H27N5/c1-37(2)22-12-7-5-10-20(22)30-24(37)17-19-27-32(30)40-36-41(27)28-14-9-15-29-34(28)43(36)35-39-26-18-16-25-31(33(26)42(29)35)21-11-6-8-13-23(21)38(25,3)4/h5-19H,1-4H3
InChIKeyDKAGIRGUISIJOT-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 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 with MolForge

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Related Compounds

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
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
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
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
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
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
ethane;4,9,9-trimethylfluorene
CID 123917181
12,12,28,28-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376227
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
14,14-dimethyl-9-pyrimidin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502300

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2ccc4c(c2n31)-c1ccccc1C4(C)C.
What is the InChIKey of 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?
The InChIKey is DKAGIRGUISIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-37(2)22-12-7-5-10-20(22)30-24(37)17-19-27-32(30)40-36-41(27)28-14-9-15-29-34(28)43(36)35-39-26-18-16-25-31(33(26)42(29)35)21-11-6-8-13-23(21)38(25,3)4/h5-19H,1-4H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 146652535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).