9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole

C54H33N — CID 155786134

IUPAC9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole
SMILESCc1cc2c(-n3c4ccccc4c4ccccc43)c(C)cc3c4cc5c(-c6ccccc6)c6c7ccccc7c7c8ccccc8cc(c5cc4c(c1)c23)c67
InChIInChI=1S/C54H33N/c1-30-24-42-39-28-41-44-27-33-16-6-7-17-34(33)51-37-20-8-9-21-38(37)52(53(44)51)49(32-14-4-3-5-15-32)45(41)29-40(39)43-26-31(2)54(46(25-30)50(42)43)55-47-22-12-10-18-35(47)36-19-11-13-23-48(36)55/h3-29H,1-2H3
InChIKeyUHLVSOHWBMPGED-UHFFFAOYSA-N
MW695.87 g/mol
LogP15.17
Rot. Bonds2

About 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole

9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole (PubChem CID 155786134) has the molecular formula C54H33N and a molecular weight of 695.87 g/mol. Its IUPAC name is 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole.

Molecular Properties

Compound Name9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole
PubChem CID155786134
Molecular FormulaC54H33N
Molecular Weight695.87 g/mol
Exact Mass695.26
IUPAC Name9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole
SMILESCc1cc2c(-n3c4ccccc4c4ccccc43)c(C)cc3c4cc5c(-c6ccccc6)c6c7ccccc7c7c8ccccc8cc(c5cc4c(c1)c23)c67
InChIInChI=1S/C54H33N/c1-30-24-42-39-28-41-44-27-33-16-6-7-17-34(33)51-37-20-8-9-21-38(37)52(53(44)51)49(32-14-4-3-5-15-32)45(41)29-40(39)43-26-31(2)54(46(25-30)50(42)43)55-47-22-12-10-18-35(47)36-19-11-13-23-48(36)55/h3-29H,1-2H3
InChIKeyUHLVSOHWBMPGED-UHFFFAOYSA-N
XLogP15.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole with MolForge

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Related Compounds

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CID 155786141
3-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642464
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
CID 126617968
9,13-ditert-butyl-5,17-diphenylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7(34),8,10,12,14,16,19,21,23,25,27,29(33),30-heptadecaene
CID 58470908
3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
CID 126633217
3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11(30),12,14,16,19,21,23,25(29),26-pentadecaene
CID 22639653
15-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5,7,9(30),10,12,15,17,19,21,23,25(29),26-pentadecaene
CID 58068210
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
3,23-bis(4-tert-butylphenyl)decacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(36),2,4(22),5,7,9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaene
CID 140699497
3,10,19-triphenylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7(34),8,10,12,14,16,19,21,23,25,27,29(33),30-heptadecaene
CID 58470850
8-(2,6-dimethylphenyl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5(34),6,8,10,12,14,16,19,21,23,25(33),26,28,30-heptadecaene
CID 123301844

Frequently Asked Questions

What is the IUPAC name of 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole?
The IUPAC name of 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole (CID 155786134) is 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole.
What is the SMILES notation for 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole?
The canonical SMILES for 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole is Cc1cc2c(-n3c4ccccc4c4ccccc43)c(C)cc3c4cc5c(-c6ccccc6)c6c7ccccc7c7c8ccccc8cc(c5cc4c(c1)c23)c67.
What is the InChIKey of 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole?
The InChIKey is UHLVSOHWBMPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N/c1-30-24-42-39-28-41-44-27-33-16-6-7-17-34(33)51-37-20-8-9-21-38(37)52(53(44)51)49(32-14-4-3-5-15-32)45(41)29-40(39)43-26-31(2)54(46(25-30)50(42)43)55-47-22-12-10-18-35(47)36-19-11-13-23-48(36)55/h3-29H,1-2H3.
What are the key properties of 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole?
9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole has a molecular weight of 695.87 g/mol, XLogP of 15.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7,11-dimethyl-17-phenyl-10-nonacyclo[16.14.1.15,9.02,16.04,14.019,24.025,33.026,31.013,34]tetratriaconta-1(32),2(16),3,5(34),6,8,10,12,14,17,19,21,23,25(33),26,28,30-heptadecaenyl)carbazole is sourced from PubChem (CID 155786134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).