9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole

C102H112N2 — CID 140901800

About 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole

9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole (PubChem CID 140901800) has the molecular formula C102H112N2 and a molecular weight of 1366.03 g/mol. Its IUPAC name is 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole.

Molecular Properties

• Compound Name: 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole
• PubChem CID: 140901800
• Molecular Formula: C102H112N2
• Molecular Weight: 1366.03 g/mol
• Exact Mass: 1364.88
• IUPAC Name: 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1cc2c(cc1C4(CCCCCCCC)CCCCCCCC)-c1c(cc(-n4c5ccccc5c5ccccc54)c4ccccc14)C2(C)C)C(C)(C)c1cc(-n2c4ccccc4c4ccccc42)c2ccccc2c1-3
• InChI: InChI=1S/C102H112N2/c1-9-13-17-21-25-41-57-101(58-42-26-22-18-14-10-2)85-63-80-78-62-84-82(98-76-52-32-30-50-74(76)96(68-90(98)100(84,7)8)104-93-55-39-35-47-71(93)72-48-36-40-56-94(72)104)66-88(78)102(59-43-27-23-19-15-11-3,60-44-28-24-20-16-12-4)86(80)64-79(85)77-61-83-81(65-87(77)101)97-75-51-31-29-49-73(75)95(67-89(97)99(83,5)6)103-91-53-37-33-45-69(91)70-46-34-38-54-92(70)103/h29-40,45-56,61-68H,9-28,41-44,57-60H2,1-8H3
• InChIKey: JPILFJYZEXPCNQ-UHFFFAOYSA-N
• XLogP: 30.34
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 30
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1366.03
LogP ≤ 5	30.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole?

The IUPAC name of 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole (CID 140901800) is 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole.

What is the SMILES notation for 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole?

The canonical SMILES for 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole is CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1cc2c(cc1C4(CCCCCCCC)CCCCCCCC)-c1c(cc(-n4c5ccccc5c5ccccc54)c4ccccc14)C2(C)C)C(C)(C)c1cc(-n2c4ccccc4c4ccccc42)c2ccccc2c1-3.

What is the InChIKey of 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole?

The InChIKey is JPILFJYZEXPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H112N2/c1-9-13-17-21-25-41-57-101(58-42-26-22-18-14-10-2)85-63-80-78-62-84-82(98-76-52-32-30-50-74(76)96(68-90(98)100(84,7)8)104-93-55-39-35-47-71(93)72-48-36-40-56-94(72)104)66-88(78)102(59-43-27-23-19-15-11-3,60-44-28-24-20-16-12-4)86(80)64-79(85)77-61-83-81(65-87(77)101)97-75-51-31-29-49-73(75)95(67-89(97)99(83,5)6)103-91-53-37-33-45-69(91)70-46-34-38-54-92(70)103/h29-40,45-56,61-68H,9-28,41-44,57-60H2,1-8H3.

What are the key properties of 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole?

9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole has a molecular weight of 1366.03 g/mol, XLogP of 30.34, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole is sourced from PubChem (CID 140901800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).