N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline

C66H52N2 — CID 130231435

About N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline

N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline (PubChem CID 130231435) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline.

Molecular Properties

• Compound Name: N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
• PubChem CID: 130231435
• Molecular Formula: C66H52N2
• Molecular Weight: 873.16 g/mol
• Exact Mass: 872.41
• IUPAC Name: N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
• SMILES: C1=CC(c2cccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c2)=C(C2=CC=C(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)CC2)CC1
• InChI: InChI=1S/C66H52N2/c1-5-18-49(19-6-1)51-32-40-59(41-33-51)67(57-24-9-3-10-25-57)61-44-36-53(37-45-61)63-28-13-15-30-65(63)55-22-17-23-56(48-55)66-31-16-14-29-64(66)54-38-46-62(47-39-54)68(58-26-11-4-12-27-58)60-42-34-52(35-43-60)50-20-7-2-8-21-50/h1-13,15-28,30-38,40-46,48H,14,29,39,47H2
• InChIKey: OVTVVGOHAWDIOS-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.16
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline?

The IUPAC name of N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline (CID 130231435) is N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline.

What is the SMILES notation for N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline?

The canonical SMILES for N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline is C1=CC(c2cccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c2)=C(C2=CC=C(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)CC2)CC1.

What is the InChIKey of N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline?

The InChIKey is OVTVVGOHAWDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-5-18-49(19-6-1)51-32-40-59(41-33-51)67(57-24-9-3-10-25-57)61-44-36-53(37-45-61)63-28-13-15-30-65(63)55-22-17-23-56(48-55)66-31-16-14-29-64(66)54-38-46-62(47-39-54)68(58-26-11-4-12-27-58)60-42-34-52(35-43-60)50-20-7-2-8-21-50/h1-13,15-28,30-38,40-46,48H,14,29,39,47H2.

What are the key properties of N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline?

N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline has a molecular weight of 873.16 g/mol, XLogP of 18.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline is sourced from PubChem (CID 130231435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).