N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine

C265H174N8O — CID 162017725

About N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine

N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 162017725) has the molecular formula C265H174N8O and a molecular weight of 3486.36 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 162017725
• Molecular Formula: C265H174N8O
• Molecular Weight: 3486.36 g/mol
• Exact Mass: 3483.38
• IUPAC Name: N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8oc9ccccc9c78)cc6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7c(-c8ccccc8)c8ccccn8c7c6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C69H46N2.C66H42N2O.C66H44N2.C64H42N2/c1-5-20-49(21-6-1)66-65-34-17-18-43-70(65)68-62-45-51(39-41-58(62)57-30-13-14-32-61(57)67(66)68)48-37-35-47(36-38-48)50-22-19-29-55(44-50)71(54-27-11-4-12-28-54)56-40-42-60-59-31-15-16-33-63(59)69(64(60)46-56,52-23-7-2-8-24-52)53-25-9-3-10-26-53;1-2-15-48(16-3-1)63-59-23-10-11-41-67(59)66-58-42-49(35-40-55(58)54-19-6-7-20-56(54)65(63)66)45-29-27-43(28-30-45)44-31-36-50(37-32-44)68(60-24-13-26-62-64(60)57-21-8-9-25-61(57)69-62)51-38-33-47(34-39-51)53-22-12-17-46-14-4-5-18-52(46)53;1-3-14-45(15-4-1)46-25-27-47(28-26-46)48-29-36-54(37-30-48)68(56-40-33-51(34-41-56)58-23-13-19-50-16-7-8-20-57(50)58)55-38-31-49(32-39-55)53-35-42-60-59-21-9-10-22-61(59)65-64(52-17-5-2-6-18-52)63-24-11-12-43-67(63)66(65)62(60)44-53;1-2-16-48(17-3-1)62-61-26-10-11-41-65(61)64-60-42-49(33-40-58(60)57-22-8-9-23-59(57)63(62)64)43-27-34-50(35-28-43)66(51-36-29-46(30-37-51)55-24-12-18-44-14-4-6-20-53(44)55)52-38-31-47(32-39-52)56-25-13-19-45-15-5-7-21-54(45)56/h1-46H;1-42H;1-44H;1-42H
• InChIKey: YUIJQOXCKMWCKF-UHFFFAOYSA-N
• XLogP: 73.02
• TPSA: 43.74 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3486.36
LogP ≤ 5	73.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine (CID 162017725) is N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine is c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9ccccc89)cc7)c7cccc8oc9ccccc9c78)cc6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2c3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4c3n3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7c(-c8ccccc8)c8ccccn8c7c6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is YUIJQOXCKMWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2.C66H42N2O.C66H44N2.C64H42N2/c1-5-20-49(21-6-1)66-65-34-17-18-43-70(65)68-62-45-51(39-41-58(62)57-30-13-14-32-61(57)67(66)68)48-37-35-47(36-38-48)50-22-19-29-55(44-50)71(54-27-11-4-12-28-54)56-40-42-60-59-31-15-16-33-63(59)69(64(60)46-56,52-23-7-2-8-24-52)53-25-9-3-10-26-53;1-2-15-48(16-3-1)63-59-23-10-11-41-67(59)66-58-42-49(35-40-55(58)54-19-6-7-20-56(54)65(63)66)45-29-27-43(28-30-45)44-31-36-50(37-32-44)68(60-24-13-26-62-64(60)57-21-8-9-25-61(57)69-62)51-38-33-47(34-39-51)53-22-12-17-46-14-4-5-18-52(46)53;1-3-14-45(15-4-1)46-25-27-47(28-26-46)48-29-36-54(37-30-48)68(56-40-33-51(34-41-56)58-23-13-19-50-16-7-8-20-57(50)58)55-38-31-49(32-39-55)53-35-42-60-59-21-9-10-22-61(59)65-64(52-17-5-2-6-18-52)63-24-11-12-43-67(63)66(65)62(60)44-53;1-2-16-48(17-3-1)62-61-26-10-11-41-65(61)64-60-42-49(33-40-58(60)57-22-8-9-23-59(57)63(62)64)43-27-34-50(35-28-43)66(51-36-29-46(30-37-51)55-24-12-18-44-14-4-6-20-53(44)55)52-38-31-47(32-39-52)56-25-13-19-45-15-5-7-21-54(45)56/h1-46H;1-42H;1-44H;1-42H.

What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine?

N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 3486.36 g/mol, XLogP of 73.02, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 162017725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).