N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine

C249H160N8OS — CID 159807904

About N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine

N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine (PubChem CID 159807904) has the molecular formula C249H160N8OS and a molecular weight of 3312.14 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine
• PubChem CID: 159807904
• Molecular Formula: C249H160N8OS
• Molecular Weight: 3312.14 g/mol
• Exact Mass: 3309.24
• IUPAC Name: N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2c3ccccc3n3c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7oc8ccccc8c67)cc5)cccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3n3c4c(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)cc5)cccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3n3c4c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cccc4c4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c6ccccc6c6c(-c7ccccc7)c7ccccc7n6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
• InChI: InChI=1S/C68H44N2.C63H42N2.C60H38N2O.C58H36N2S/c1-4-19-45(20-5-1)49-41-50(46-21-6-2-7-22-46)43-53(42-49)69(52-39-40-60-57-27-11-10-25-55(57)56-26-12-13-28-58(56)64(60)44-52)51-37-35-47(36-38-51)54-32-18-33-61-59-29-14-15-30-62(59)68-66(48-23-8-3-9-24-48)63-31-16-17-34-65(63)70(68)67(54)61;1-5-20-44(21-6-1)60-56-31-16-18-35-59(56)65-61-50(32-19-33-54(61)51-28-13-14-30-55(51)62(60)65)43-36-38-48(39-37-43)64(47-26-11-4-12-27-47)49-40-41-53-52-29-15-17-34-57(52)63(58(53)42-49,45-22-7-2-8-23-45)46-24-9-3-10-25-46;1-2-16-42(17-3-1)57-51-22-8-10-27-53(51)62-59-47(25-13-26-49(59)48-20-6-7-21-50(48)60(57)62)41-33-37-44(38-34-41)61(54-28-14-30-56-58(54)52-23-9-11-29-55(52)63-56)43-35-31-40(32-36-43)46-24-12-18-39-15-4-5-19-45(39)46;1-2-14-39(15-3-1)56-51-20-8-10-23-53(51)60-57-46(21-12-22-49(57)47-17-6-7-19-50(47)58(56)60)38-27-29-41(30-28-38)59(43-32-34-55-52(36-43)48-18-9-11-24-54(48)61-55)42-31-33-45-40(35-42)26-25-37-13-4-5-16-44(37)45/h1-44H;1-42H;1-38H;1-36H
• InChIKey: NKQFQIVTJZODQZ-UHFFFAOYSA-N
• XLogP: 69.36
• TPSA: 43.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 25
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3312.14
LogP ≤ 5	69.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine (CID 159807904) is N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine is c1ccc(-c2c3ccccc3n3c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7oc8ccccc8c67)cc5)cccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3n3c4c(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)cc5)cccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3n3c4c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cccc4c4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c6ccccc6c6c(-c7ccccc7)c7ccccc7n6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.

What is the InChIKey of N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine?

The InChIKey is NKQFQIVTJZODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2.C63H42N2.C60H38N2O.C58H36N2S/c1-4-19-45(20-5-1)49-41-50(46-21-6-2-7-22-46)43-53(42-49)69(52-39-40-60-57-27-11-10-25-55(57)56-26-12-13-28-58(56)64(60)44-52)51-37-35-47(36-38-51)54-32-18-33-61-59-29-14-15-30-62(59)68-66(48-23-8-3-9-24-48)63-31-16-17-34-65(63)70(68)67(54)61;1-5-20-44(21-6-1)60-56-31-16-18-35-59(56)65-61-50(32-19-33-54(61)51-28-13-14-30-55(51)62(60)65)43-36-38-48(39-37-43)64(47-26-11-4-12-27-47)49-40-41-53-52-29-15-17-34-57(52)63(58(53)42-49,45-22-7-2-8-23-45)46-24-9-3-10-25-46;1-2-16-42(17-3-1)57-51-22-8-10-27-53(51)62-59-47(25-13-26-49(59)48-20-6-7-21-50(48)60(57)62)41-33-37-44(38-34-41)61(54-28-14-30-56-58(54)52-23-9-11-29-55(52)63-56)43-35-31-40(32-36-43)46-24-12-18-39-15-4-5-19-45(39)46;1-2-14-39(15-3-1)56-51-20-8-10-23-53(51)60-57-46(21-12-22-49(57)47-17-6-7-19-50(47)58(56)60)38-27-29-41(30-28-38)59(43-32-34-55-52(36-43)48-18-9-11-24-54(48)61-55)42-31-33-45-40(35-42)26-25-37-13-4-5-16-44(37)45/h1-44H;1-42H;1-38H;1-36H.

What are the key properties of N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine?

N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine has a molecular weight of 3312.14 g/mol, XLogP of 69.36, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-diphenylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]triphenylen-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzofuran-1-amine;N-phenanthren-2-yl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]dibenzothiophen-2-amine;N,9,9-triphenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 159807904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).