10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C228H151N5 — CID 157260261

About 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 157260261) has the molecular formula C228H151N5 and a molecular weight of 2960.75 g/mol. Its IUPAC name is 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 157260261
• Molecular Formula: C228H151N5
• Molecular Weight: 2960.75 g/mol
• Exact Mass: 2958.20
• IUPAC Name: 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: CC1(C)c2ccccc2N2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3-c3ccccc3-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3-c3ccccc3-c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cc4)cc1c32.c1ccc(-c2ccc3c(c2)-c2ccccc2-c2cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc4c5ccccc5n-3c24)cc1.c1ccc2c(c1)-c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1-n1c3ccccc3c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc-2c31
• InChI: InChI=1S/C63H45N.C60H35N.C57H42N2.C48H29N/c1-63(2)58-29-17-18-30-61(58)64-60-32-31-46(51-35-47(42-19-7-3-8-20-42)33-48(36-51)43-21-9-4-10-22-43)39-56(60)54-27-15-16-28-55(54)57-40-53(41-59(63)62(57)64)52-37-49(44-23-11-5-12-24-44)34-50(38-52)45-25-13-6-14-26-45;1-3-17-44-40(13-1)42-15-5-7-19-46(42)53-31-36(25-28-50(44)53)37-27-30-59-55(33-37)48-21-9-10-22-49(48)56-34-39(35-57-52-23-11-12-24-58(52)61(59)60(56)57)38-26-29-51-45-18-4-2-14-41(45)43-16-6-8-20-47(43)54(51)32-38;1-57(2)52-28-12-14-30-55(52)59-54-29-13-11-27-50(54)48-25-9-10-26-49(48)51-37-44(38-53(57)56(51)59)41-31-33-45(34-32-41)58(46-23-15-21-42(35-46)39-17-5-3-6-18-39)47-24-16-22-43(36-47)40-19-7-4-8-20-40;1-2-12-30(13-3-1)31-23-25-47-43(27-31)38-18-8-9-19-39(38)44-28-33(29-45-41-20-10-11-21-46(41)49(47)48(44)45)32-22-24-40-36-16-5-4-14-34(36)35-15-6-7-17-37(35)42(40)26-32/h3-41H,1-2H3;1-35H;3-38H,1-2H3;1-29H
• InChIKey: AXJHCVHYKMGDEJ-UHFFFAOYSA-N
• XLogP: 63.27
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2960.75
LogP ≤ 5	63.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 157260261) is 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is CC1(C)c2ccccc2N2c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3-c3ccccc3-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3-c3ccccc3-c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cc4)cc1c32.c1ccc(-c2ccc3c(c2)-c2ccccc2-c2cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc4c5ccccc5n-3c24)cc1.c1ccc2c(c1)-c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1-n1c3ccccc3c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc-2c31.

What is the InChIKey of 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is AXJHCVHYKMGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N.C60H35N.C57H42N2.C48H29N/c1-63(2)58-29-17-18-30-61(58)64-60-32-31-46(51-35-47(42-19-7-3-8-20-42)33-48(36-51)43-21-9-4-10-22-43)39-56(60)54-27-15-16-28-55(54)57-40-53(41-59(63)62(57)64)52-37-49(44-23-11-5-12-24-44)34-50(38-52)45-25-13-6-14-26-45;1-3-17-44-40(13-1)42-15-5-7-19-46(42)53-31-36(25-28-50(44)53)37-27-30-59-55(33-37)48-21-9-10-22-49(48)56-34-39(35-57-52-23-11-12-24-58(52)61(59)60(56)57)38-26-29-51-45-18-4-2-14-41(45)43-16-6-8-20-47(43)54(51)32-38;1-57(2)52-28-12-14-30-55(52)59-54-29-13-11-27-50(54)48-25-9-10-26-49(48)51-37-44(38-53(57)56(51)59)41-31-33-45(34-32-41)58(46-23-15-21-42(35-46)39-17-5-3-6-18-39)47-24-16-22-43(36-47)40-19-7-4-8-20-40;1-2-12-30(13-3-1)31-23-25-47-43(27-31)38-18-8-9-19-39(38)44-28-33(29-45-41-20-10-11-21-46(41)49(47)48(44)45)32-22-24-40-36-16-5-4-14-34(36)35-15-6-7-17-37(35)42(40)26-32/h3-41H,1-2H3;1-35H;3-38H,1-2H3;1-29H.

What are the key properties of 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 2960.75 g/mol, XLogP of 63.27, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10,24-bis(3,5-diphenylphenyl)-21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8(13),9,11,15,17,19,22,24-dodecaene;N-[4-(21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaen-24-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene;10-phenyl-23-triphenylen-2-yl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 157260261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).