N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline

C68H50N2 — CID 143462430

About N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline

N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline (PubChem CID 143462430) has the molecular formula C68H50N2 and a molecular weight of 895.16 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
• PubChem CID: 143462430
• Molecular Formula: C68H50N2
• Molecular Weight: 895.16 g/mol
• Exact Mass: 894.40
• IUPAC Name: N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
• SMILES: C1=C(c2cccc3ccccc23)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)=C1
• InChI: InChI=1S/C68H50N2/c1-3-13-49(14-4-1)51-25-37-59(38-26-51)69(63-45-33-57(34-46-63)67-23-11-19-55-17-7-9-21-65(55)67)61-41-29-53(30-42-61)54-31-43-62(44-32-54)70(60-39-27-52(28-40-60)50-15-5-2-6-16-50)64-47-35-58(36-48-64)68-24-12-20-56-18-8-10-22-66(56)68/h1-35,37-47H,36,48H2
• InChIKey: MKFUCMYOAWVMMH-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.16
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline?

The IUPAC name of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline (CID 143462430) is N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline.

What is the SMILES notation for N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline?

The canonical SMILES for N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline is C1=C(c2cccc3ccccc23)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)=C1.

What is the InChIKey of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline?

The InChIKey is MKFUCMYOAWVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N2/c1-3-13-49(14-4-1)51-25-37-59(38-26-51)69(63-45-33-57(34-46-63)67-23-11-19-55-17-7-9-21-65(55)67)61-41-29-53(30-42-61)54-31-43-62(44-32-54)70(60-39-27-52(28-40-60)50-15-5-2-6-16-50)64-47-35-58(36-48-64)68-24-12-20-56-18-8-10-22-66(56)68/h1-35,37-47H,36,48H2.

What are the key properties of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline?

N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline has a molecular weight of 895.16 g/mol, XLogP of 19.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 143462430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).