3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C143H98N6 — CID 157199597

About 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 157199597) has the molecular formula C143H98N6 and a molecular weight of 1900.40 g/mol. Its IUPAC name is 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 157199597
• Molecular Formula: C143H98N6
• Molecular Weight: 1900.40 g/mol
• Exact Mass: 1898.79
• IUPAC Name: 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-n4c5cccc6ccc7cccc4c7c65)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-n4c5cccc6ccc7cccc4c7c65)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-n4c5cccc6ccc7cccc4c7c65)c3)cc2)cc1
• InChI: InChI=1S/2C48H32N2.C47H34N2/c1-2-10-33(11-3-1)34-24-28-39(29-25-34)49(40-30-26-36(27-31-40)44-19-6-13-35-12-4-5-18-43(35)44)41-16-9-17-42(32-41)50-45-20-7-14-37-22-23-38-15-8-21-46(50)48(38)47(37)45;1-2-9-33(10-3-1)35-23-27-41(28-24-35)49(42-29-25-36(26-30-42)40-22-19-34-11-4-5-12-39(34)31-40)43-15-8-16-44(32-43)50-45-17-6-13-37-20-21-38-14-7-18-46(50)48(38)47(37)45;1-47(2)41-18-7-6-17-39(41)40-28-27-38(30-42(40)47)48(35-25-23-32(24-26-35)31-11-4-3-5-12-31)36-15-10-16-37(29-36)49-43-19-8-13-33-21-22-34-14-9-20-44(49)46(34)45(33)43/h2*1-32H;3-30H,1-2H3
• InChIKey: AQQNFLZPTQPGDK-UHFFFAOYSA-N
• XLogP: 39.48
• TPSA: 24.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1900.40
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 157199597) is 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-n4c5cccc6ccc7cccc4c7c65)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-n4c5cccc6ccc7cccc4c7c65)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-n4c5cccc6ccc7cccc4c7c65)c3)cc2)cc1.

What is the InChIKey of 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is AQQNFLZPTQPGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H32N2.C47H34N2/c1-2-10-33(11-3-1)34-24-28-39(29-25-34)49(40-30-26-36(27-31-40)44-19-6-13-35-12-4-5-18-43(35)44)41-16-9-17-42(32-41)50-45-20-7-14-37-22-23-38-15-8-21-46(50)48(38)47(37)45;1-2-9-33(10-3-1)35-23-27-41(28-24-35)49(42-29-25-36(26-30-42)40-22-19-34-11-4-5-12-39(34)31-40)43-15-8-16-44(32-43)50-45-17-6-13-37-20-21-38-14-7-18-46(50)48(38)47(37)45;1-47(2)41-18-7-6-17-39(41)40-28-27-38(30-42(40)47)48(35-25-23-32(24-26-35)31-11-4-3-5-12-31)36-15-10-16-37(29-36)49-43-19-8-13-33-21-22-34-14-9-20-44(49)46(34)45(33)43/h2*1-32H;3-30H,1-2H3.

What are the key properties of 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1900.40 g/mol, XLogP of 39.48, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 157199597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).