4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine

C60H42N2 — CID 145018334

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine (PubChem CID 145018334) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine
• PubChem CID: 145018334
• Molecular Formula: C60H42N2
• Molecular Weight: 791.01 g/mol
• Exact Mass: 790.33
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine
• SMILES: c1c(-c2ccccc2)ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c#1
• InChI: InChI=1S/C60H42N2/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47/h1-27,29-37,39-44H
• InChIKey: FCZZNMSXGPDDHM-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.01
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine (CID 145018334) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine is c1c(-c2ccccc2)ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c#1.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine?

The InChIKey is FCZZNMSXGPDDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47/h1-27,29-37,39-44H.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine?

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine has a molecular weight of 791.01 g/mol, XLogP of 16.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine is sourced from PubChem (CID 145018334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).