4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline

C54H38N2 — CID 129062242

About 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 129062242) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 129062242
• Molecular Formula: C54H38N2
• Molecular Weight: 714.91 g/mol
• Exact Mass: 714.30
• IUPAC Name: 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4-c4ccccc4-5)cc3)cc2)cc1
• InChI: InChI=1S/C54H38N2/c1-4-14-39(15-5-1)41-24-31-46(32-25-41)55(47-33-26-42(27-34-47)40-16-6-2-7-17-40)48-35-28-43(29-36-48)44-30-37-52-50-21-11-10-20-49(50)51-22-12-13-23-53(51)56(54(52)38-44)45-18-8-3-9-19-45/h1-38H
• InChIKey: VSBNDDUKHLNKPW-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.91
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 129062242) is 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4-c4ccccc4-5)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is VSBNDDUKHLNKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-14-39(15-5-1)41-24-31-46(32-25-41)55(47-33-26-42(27-34-47)40-16-6-2-7-17-40)48-35-28-43(29-36-48)44-30-37-52-50-21-11-10-20-49(50)51-22-12-13-23-53(51)56(54(52)38-44)45-18-8-3-9-19-45/h1-38H.

What are the key properties of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?

4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 714.91 g/mol, XLogP of 15.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 129062242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).