25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene

C168H104N8 — CID 158198510

About 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene

25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene (PubChem CID 158198510) has the molecular formula C168H104N8 and a molecular weight of 2234.74 g/mol. Its IUPAC name is 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
• PubChem CID: 158198510
• Molecular Formula: C168H104N8
• Molecular Weight: 2234.74 g/mol
• Exact Mass: 2232.84
• IUPAC Name: 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-n4c5cc6ccccc6cc5c5c6ccccc6c6ccccc6c54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6c6ccccc6c54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5c6ccccc6ccc5c5c6ccccc6c6ccccc6c54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6c6ccccc6c54)cc32)cc1
• InChI: InChI=1S/4C42H26N2/c1-2-14-29(15-3-1)43-38-21-11-10-18-33(38)34-23-22-30(26-40(34)43)44-39-25-28-13-5-4-12-27(28)24-37(39)41-35-19-8-6-16-31(35)32-17-7-9-20-36(32)42(41)44;1-2-14-29(15-3-1)43-38-21-11-10-18-33(38)36-26-30(22-23-39(36)43)44-40-25-28-13-5-4-12-27(28)24-37(40)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)44;1-2-13-28(14-3-1)43-38-21-11-10-18-33(38)34-25-23-29(26-39(34)43)44-41-30-15-5-4-12-27(30)22-24-37(41)40-35-19-8-6-16-31(35)32-17-7-9-20-36(32)42(40)44;1-2-13-28(14-3-1)43-37-21-11-10-18-33(37)36-26-29(23-25-38(36)43)44-39-24-22-27-12-4-5-15-30(27)40(39)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)44/h4*1-26H
• InChIKey: GAQGHZBLWKAZFG-UHFFFAOYSA-N
• XLogP: 45.36
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2234.74
LogP ≤ 5	45.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

The IUPAC name of 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene (CID 158198510) is 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene.

What is the SMILES notation for 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

The canonical SMILES for 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene is c1ccc(-n2c3ccccc3c3cc(-n4c5cc6ccccc6cc5c5c6ccccc6c6ccccc6c54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6c6ccccc6c54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5c6ccccc6ccc5c5c6ccccc6c6ccccc6c54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6c6ccccc6c54)cc32)cc1.

What is the InChIKey of 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

The InChIKey is GAQGHZBLWKAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H26N2/c1-2-14-29(15-3-1)43-38-21-11-10-18-33(38)34-23-22-30(26-40(34)43)44-39-25-28-13-5-4-12-27(28)24-37(39)41-35-19-8-6-16-31(35)32-17-7-9-20-36(32)42(41)44;1-2-14-29(15-3-1)43-38-21-11-10-18-33(38)36-26-30(22-23-39(36)43)44-40-25-28-13-5-4-12-27(28)24-37(40)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)44;1-2-13-28(14-3-1)43-38-21-11-10-18-33(38)34-25-23-29(26-39(34)43)44-41-30-15-5-4-12-27(30)22-24-37(41)40-35-19-8-6-16-31(35)32-17-7-9-20-36(32)42(40)44;1-2-13-28(14-3-1)43-37-21-11-10-18-33(37)36-26-29(23-25-38(36)43)44-39-24-22-27-12-4-5-15-30(27)40(39)41-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(41)44/h4*1-26H.

What are the key properties of 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene has a molecular weight of 2234.74 g/mol, XLogP of 45.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(9-phenylcarbazol-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene is sourced from PubChem (CID 158198510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).