N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

C59H44N2 — CID 70847371

About N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 70847371) has the molecular formula C59H44N2 and a molecular weight of 781.02 g/mol. Its IUPAC name is N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
• PubChem CID: 70847371
• Molecular Formula: C59H44N2
• Molecular Weight: 781.02 g/mol
• Exact Mass: 780.35
• IUPAC Name: N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
• SMILES: C1=C(c2ccccc2)CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)=C1
• InChI: InChI=1S/C59H44N2/c1-5-13-44(14-6-1)47-23-33-57(34-24-47)61(58-35-25-48(26-36-58)45-15-7-2-8-16-45)59-39-29-50(30-40-59)49-27-37-55(38-28-49)60(54-19-11-4-12-20-54)56-41-31-51(32-42-56)53-22-21-52(43-53)46-17-9-3-10-18-46/h1-42H,43H2
• InChIKey: SVHSKFUXPIUNIR-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.02
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The IUPAC name of N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 70847371) is N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

What is the SMILES notation for N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The canonical SMILES for N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is C1=C(c2ccccc2)CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)=C1.

What is the InChIKey of N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The InChIKey is SVHSKFUXPIUNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2/c1-5-13-44(14-6-1)47-23-33-57(34-24-47)61(58-35-25-48(26-36-58)45-15-7-2-8-16-45)59-39-29-50(30-40-59)49-27-37-55(38-28-49)60(54-19-11-4-12-20-54)56-41-31-51(32-42-56)53-22-21-52(43-53)46-17-9-3-10-18-46/h1-42H,43H2.

What are the key properties of N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 781.02 g/mol, XLogP of 16.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 70847371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).