25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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

C168H108N4 — CID 158209287

About 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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 (PubChem CID 158209287) has the molecular formula C168H108N4 and a molecular weight of 2182.74 g/mol. Its IUPAC name is 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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.

Molecular Properties

• Compound Name: 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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
• PubChem CID: 158209287
• Molecular Formula: C168H108N4
• Molecular Weight: 2182.74 g/mol
• Exact Mass: 2180.86
• IUPAC Name: 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc5ccccc5cc4c4c5ccccc5c5ccccc5c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc5ccccc5c4c4c5ccccc5c5ccccc5c43)c2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4c5ccccc5ccc4c4c5ccccc5c5ccccc5c43)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4cc5ccccc5cc4c4c5ccccc5c5ccccc5c43)cc2)cc1
• InChI: InChI=1S/4C42H27N/c1-3-13-28(14-4-1)32-23-33(29-15-5-2-6-16-29)25-34(24-32)43-40-27-31-18-8-7-17-30(31)26-39(40)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43;1-3-13-28(14-4-1)31-25-32(29-15-5-2-6-16-29)27-33(26-31)43-39-24-23-30-17-7-8-18-34(30)40(39)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43;1-2-12-28(13-3-1)32-15-6-7-16-33(32)30-22-25-31(26-23-30)43-41-34-17-5-4-14-29(34)24-27-39(41)40-37-20-10-8-18-35(37)36-19-9-11-21-38(36)42(40)43;1-2-12-28(13-3-1)33-16-6-7-17-34(33)29-22-24-32(25-23-29)43-40-27-31-15-5-4-14-30(31)26-39(40)41-37-20-10-8-18-35(37)36-19-9-11-21-38(36)42(41)43/h4*1-27H
• InChIKey: GBWJDVISRHWEOZ-UHFFFAOYSA-N
• XLogP: 46.31
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2182.74
LogP ≤ 5	46.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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?

The IUPAC name of 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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 (CID 158209287) is 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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.

What is the SMILES notation for 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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?

The canonical SMILES for 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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 is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc5ccccc5cc4c4c5ccccc5c5ccccc5c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc5ccccc5c4c4c5ccccc5c5ccccc5c43)c2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4c5ccccc5ccc4c4c5ccccc5c5ccccc5c43)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4cc5ccccc5cc4c4c5ccccc5c5ccccc5c43)cc2)cc1.

What is the InChIKey of 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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?

The InChIKey is GBWJDVISRHWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H27N/c1-3-13-28(14-4-1)32-23-33(29-15-5-2-6-16-29)25-34(24-32)43-40-27-31-18-8-7-17-30(31)26-39(40)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43;1-3-13-28(14-4-1)31-25-32(29-15-5-2-6-16-29)27-33(26-31)43-39-24-23-30-17-7-8-18-34(30)40(39)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43;1-2-12-28(13-3-1)32-15-6-7-16-33(32)30-22-25-31(26-23-30)43-41-34-17-5-4-14-29(34)24-27-39(41)40-37-20-10-8-18-35(37)36-19-9-11-21-38(36)42(40)43;1-2-12-28(13-3-1)33-16-6-7-17-34(33)29-22-24-32(25-23-29)43-40-27-31-15-5-4-14-30(31)26-39(40)41-37-20-10-8-18-35(37)36-19-9-11-21-38(36)42(41)43/h4*1-27H.

What are the key properties of 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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 has a molecular weight of 2182.74 g/mol, XLogP of 46.31, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(3,5-diphenylphenyl)-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-(3,5-diphenylphenyl)-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-[4-(2-phenylphenyl)phenyl]-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-[4-(2-phenylphenyl)phenyl]-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 is sourced from PubChem (CID 158209287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).