N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline

C120H82N12 — CID 158587057

About N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline

N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline (PubChem CID 158587057) has the molecular formula C120H82N12 and a molecular weight of 1692.06 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline
• PubChem CID: 158587057
• Molecular Formula: C120H82N12
• Molecular Weight: 1692.06 g/mol
• Exact Mass: 1690.68
• IUPAC Name: N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5c5nc6ccccn6c45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc1
• InChI: InChI=1S/2C44H30N4.C32H22N4/c1-3-12-31(13-4-1)33-21-25-36(26-22-33)48(37-27-23-34(24-28-37)32-14-5-2-6-15-32)38-17-11-16-35(30-38)42-44-43(39-18-7-8-19-40(39)45-42)46-41-20-9-10-29-47(41)44;1-3-11-31(12-4-1)33-18-24-36(25-19-33)48(37-26-20-34(21-27-37)32-13-5-2-6-14-32)38-28-22-35(23-29-38)42-44-43(39-15-7-8-16-40(39)45-42)46-41-17-9-10-30-47(41)44;1-3-13-24(14-4-1)36(25-15-5-2-6-16-25)26-17-11-12-23(22-26)30-32-31(27-18-7-8-19-28(27)33-30)34-29-20-9-10-21-35(29)32/h2*1-30H;1-22H
• InChIKey: HTYOFHVQJXZFKY-UHFFFAOYSA-N
• XLogP: 31.19
• TPSA: 100.29 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.06
LogP ≤ 5	31.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline?

The IUPAC name of N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline (CID 158587057) is N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline?

The canonical SMILES for N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4nc5ccccc5c5nc6ccccn6c45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline?

The InChIKey is HTYOFHVQJXZFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H30N4.C32H22N4/c1-3-12-31(13-4-1)33-21-25-36(26-22-33)48(37-27-23-34(24-28-37)32-14-5-2-6-15-32)38-17-11-16-35(30-38)42-44-43(39-18-7-8-19-40(39)45-42)46-41-20-9-10-29-47(41)44;1-3-11-31(12-4-1)33-18-24-36(25-19-33)48(37-26-20-34(21-27-37)32-13-5-2-6-14-32)38-28-22-35(23-29-38)42-44-43(39-15-7-8-16-40(39)45-42)46-41-17-9-10-30-47(41)44;1-3-13-24(14-4-1)36(25-15-5-2-6-16-25)26-17-11-12-23(22-26)30-32-31(27-18-7-8-19-28(27)33-30)34-29-20-9-10-21-35(29)32/h2*1-30H;1-22H.

What are the key properties of N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline?

N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline has a molecular weight of 1692.06 g/mol, XLogP of 31.19, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline is sourced from PubChem (CID 158587057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).