14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C54H38N2 — CID 129062188

About 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 129062188) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

• Compound Name: 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• PubChem CID: 129062188
• Molecular Formula: C54H38N2
• Molecular Weight: 714.91 g/mol
• Exact Mass: 714.30
• IUPAC Name: 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)cc2)cc1
• InChI: InChI=1S/C54H38N2/c1-4-16-39(17-5-1)40-28-32-44(33-29-40)55(45-34-30-42(31-35-45)48-23-11-10-22-47(48)41-18-6-2-7-19-41)46-36-37-54-52(38-46)50-25-13-12-24-49(50)51-26-14-15-27-53(51)56(54)43-20-8-3-9-21-43/h1-38H
• InChIKey: SQFSGWYGGCBGLL-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 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The IUPAC name of 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 129062188) is 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

What is the SMILES notation for 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The canonical SMILES for 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)cc2)cc1.

What is the InChIKey of 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

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

What are the key properties of 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine 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 14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 129062188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).