28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene

C62H40N4 — CID 167065798

About 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene

28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene (PubChem CID 167065798) has the molecular formula C62H40N4 and a molecular weight of 841.03 g/mol. Its IUPAC name is 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene.

Molecular Properties

• Compound Name: 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene
• PubChem CID: 167065798
• Molecular Formula: C62H40N4
• Molecular Weight: 841.03 g/mol
• Exact Mass: 840.33
• IUPAC Name: 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene
• SMILES: C1=CC2C(CC1)c1ccccc1N2c1ccc2cc3c4c5c6ccccc6n(-c6ccccc6)c5cc5c6cc7ccc(-n8c9ccccc9c9ccccc98)cc7cc6n(c3cc2c1)c54
• InChI: InChI=1S/C62H40N4/c1-2-14-41(15-3-1)63-56-25-13-8-20-48(56)60-59(63)36-50-49-32-37-26-28-42(64-52-21-9-4-16-44(52)45-17-5-10-22-53(45)64)30-39(37)34-57(49)66-58-35-40-31-43(29-27-38(40)33-51(58)61(60)62(50)66)65-54-23-11-6-18-46(54)47-19-7-12-24-55(47)65/h1-6,8-18,20-36,47,55H,7,19H2
• InChIKey: WGHYRGMNPMEEPX-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 17.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.03
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene?

The IUPAC name of 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene (CID 167065798) is 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene.

What is the SMILES notation for 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene?

The canonical SMILES for 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene is C1=CC2C(CC1)c1ccccc1N2c1ccc2cc3c4c5c6ccccc6n(-c6ccccc6)c5cc5c6cc7ccc(-n8c9ccccc9c9ccccc98)cc7cc6n(c3cc2c1)c54.

What is the InChIKey of 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene?

The InChIKey is WGHYRGMNPMEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4/c1-2-14-41(15-3-1)63-56-25-13-8-20-48(56)60-59(63)36-50-49-32-37-26-28-42(64-52-21-9-4-16-44(52)45-17-5-10-22-53(45)64)30-39(37)34-57(49)66-58-35-40-31-43(29-27-38(40)33-51(58)61(60)62(50)66)65-54-23-11-6-18-46(54)47-19-7-12-24-55(47)65/h1-6,8-18,20-36,47,55H,7,19H2.

What are the key properties of 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene?

28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene has a molecular weight of 841.03 g/mol, XLogP of 16.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 28-(3,4,4a,9a-tetrahydrocarbazol-9-yl)-18-carbazol-9-yl-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene is sourced from PubChem (CID 167065798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).