9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole

C69H61N3 — CID 144530913

About 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole

9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole (PubChem CID 144530913) has the molecular formula C69H61N3 and a molecular weight of 932.27 g/mol. Its IUPAC name is 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole.

Molecular Properties

• Compound Name: 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole
• PubChem CID: 144530913
• Molecular Formula: C69H61N3
• Molecular Weight: 932.27 g/mol
• Exact Mass: 931.49
• IUPAC Name: 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole
• SMILES: CC1(C)C2=C(c3ccc(N4c5ccccc5C5C=CC=CC54)cc31)C1C(C3=C2c2ccc(N4C5=C(CCC=C5)C5CCC=CC54)cc2C3(C)C)c2ccc(-n3c4ccccc4c4ccccc43)cc2C1(C)C
• InChI: InChI=1S/C69H61N3/c1-67(2)52-37-40(70-55-25-13-7-19-43(55)44-20-8-14-26-56(44)70)31-34-49(52)61-64(67)62-50-35-32-41(71-57-27-15-9-21-45(57)46-22-10-16-28-58(46)71)38-53(50)68(3,4)66(62)63-51-36-33-42(39-54(51)69(5,6)65(61)63)72-59-29-17-11-23-47(59)48-24-12-18-30-60(48)72/h7-10,13-22,25-39,45,47,57,59,61,64H,11-12,23-24H2,1-6H3
• InChIKey: ZJCYSYKNHZJGPA-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.27
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole?

The IUPAC name of 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole (CID 144530913) is 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole.

What is the SMILES notation for 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole?

The canonical SMILES for 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole is CC1(C)C2=C(c3ccc(N4c5ccccc5C5C=CC=CC54)cc31)C1C(C3=C2c2ccc(N4C5=C(CCC=C5)C5CCC=CC54)cc2C3(C)C)c2ccc(-n3c4ccccc4c4ccccc43)cc2C1(C)C.

What is the InChIKey of 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole?

The InChIKey is ZJCYSYKNHZJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H61N3/c1-67(2)52-37-40(70-55-25-13-7-19-43(55)44-20-8-14-26-56(44)70)31-34-49(52)61-64(67)62-50-35-32-41(71-57-27-15-9-21-45(57)46-22-10-16-28-58(46)71)38-53(50)68(3,4)66(62)63-51-36-33-42(39-54(51)69(5,6)65(61)63)72-59-29-17-11-23-47(59)48-24-12-18-30-60(48)72/h7-10,13-22,25-39,45,47,57,59,61,64H,11-12,23-24H2,1-6H3.

What are the key properties of 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole?

9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole has a molecular weight of 932.27 g/mol, XLogP of 16.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[15-(4a,9a-dihydrocarbazol-9-yl)-24-(3,4,4a,5,6,9a-hexahydrocarbazol-9-yl)-9,9,18,18,27,27-hexamethyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3(8),4,6,11(19),12(17),13,15,21(26),22,24-undecaenyl]carbazole is sourced from PubChem (CID 144530913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).