17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

C₁₅₈H₉₄N₂₀ — CID 159642539

About 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (PubChem CID 159642539) has the molecular formula C₁₅₈H₉₄N₂₀ and a molecular weight of 2272.63 g/mol. Its IUPAC name is 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

• Compound Name: 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
• PubChem CID: 159642539
• Molecular Formula: C₁₅₈H₉₄N₂₀
• Molecular Weight: 2272.63 g/mol
• Exact Mass: 2270.80
• IUPAC Name: 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
• SMILES: c1ccc(-c2ccc3c(c2)c2cnc(-c4ccccc4)nc2c2nc(-n4c5ccccc5c5ccccc54)ncc32)cc1.c1ccc(-c2ncc3c(n2)c2nc(-n4c5ccccc5c5ccccc54)ncc2c2c4ccccc4c4ccccc4c32)cc1.c1ccc(-c2ncc3c4cc(-c5ccccc5)c(-c5ccccc5)cc4c4cnc(-n5c6ccccc6c6ccccc65)nc4c3n2)cc1.c1ccc(-c2ncc3c4cc5ccccc5cc4c4cnc(-n5c6ccccc6c6ccccc65)nc4c3n2)cc1
• InChI: InChI=1S/C44H27N5.C40H23N5.C38H23N5.C36H21N5/c1-4-14-28(15-5-1)33-24-35-36(25-34(33)29-16-6-2-7-17-29)38-27-46-44(49-39-22-12-10-20-31(39)32-21-11-13-23-40(32)49)48-42(38)41-37(35)26-45-43(47-41)30-18-8-3-9-19-30;1-2-12-24(13-3-1)39-41-22-31-35-29-18-6-4-14-25(29)26-15-5-7-19-30(26)36(35)32-23-42-40(44-38(32)37(31)43-39)45-33-20-10-8-16-27(33)28-17-9-11-21-34(28)45;1-3-11-24(12-4-1)26-19-20-27-30(21-26)32-22-39-37(25-13-5-2-6-14-25)41-35(32)36-31(27)23-40-38(42-36)43-33-17-9-7-15-28(33)29-16-8-10-18-34(29)43;1-2-10-22(11-3-1)35-37-20-29-27-18-23-12-4-5-13-24(23)19-28(27)30-21-38-36(40-34(30)33(29)39-35)41-31-16-8-6-14-25(31)26-15-7-9-17-32(26)41/h1-27H;1-23H;1-23H;1-21H
• InChIKey: MQNQBKSSPAMNLL-UHFFFAOYSA-N
• XLogP: 38.42
• TPSA: 225.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2272.63
LogP ≤ 5	38.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?

The IUPAC name of 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (CID 159642539) is 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.

What is the SMILES notation for 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?

The canonical SMILES for 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is c1ccc(-c2ccc3c(c2)c2cnc(-c4ccccc4)nc2c2nc(-n4c5ccccc5c5ccccc54)ncc32)cc1.c1ccc(-c2ncc3c(n2)c2nc(-n4c5ccccc5c5ccccc54)ncc2c2c4ccccc4c4ccccc4c32)cc1.c1ccc(-c2ncc3c4cc(-c5ccccc5)c(-c5ccccc5)cc4c4cnc(-n5c6ccccc6c6ccccc65)nc4c3n2)cc1.c1ccc(-c2ncc3c4cc5ccccc5cc4c4cnc(-n5c6ccccc6c6ccccc65)nc4c3n2)cc1.

What is the InChIKey of 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?

The InChIKey is MQNQBKSSPAMNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5.C40H23N5.C38H23N5.C36H21N5/c1-4-14-28(15-5-1)33-24-35-36(25-34(33)29-16-6-2-7-17-29)38-27-46-44(49-39-22-12-10-20-31(39)32-21-11-13-23-40(32)49)48-42(38)41-37(35)26-45-43(47-41)30-18-8-3-9-19-30;1-2-12-24(13-3-1)39-41-22-31-35-29-18-6-4-14-25(29)26-15-5-7-19-30(26)36(35)32-23-42-40(44-38(32)37(31)43-39)45-33-20-10-8-16-27(33)28-17-9-11-21-34(28)45;1-3-11-24(12-4-1)26-19-20-27-30(21-26)32-22-39-37(25-13-5-2-6-14-25)41-35(32)36-31(27)23-40-38(42-36)43-33-17-9-7-15-28(33)29-16-8-10-18-34(29)43;1-2-10-22(11-3-1)35-37-20-29-27-18-23-12-4-5-13-24(23)19-28(27)30-21-38-36(40-34(30)33(29)39-35)41-31-16-8-6-14-25(31)26-15-7-9-17-32(26)41/h1-27H;1-23H;1-23H;1-21H.

What are the key properties of 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?

17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 2272.63 g/mol, XLogP of 38.42, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 17-carbazol-9-yl-4,10-diphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;5-carbazol-9-yl-10-phenyl-4,6,9,11-tetrazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4-carbazol-9-yl-10,11,17-triphenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 159642539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159642539 — identifiers, structure, computed properties (public domain)

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