N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline

C62H48N2 — CID 143310257

About N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline

N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline (PubChem CID 143310257) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline
• PubChem CID: 143310257
• Molecular Formula: C62H48N2
• Molecular Weight: 821.08 g/mol
• Exact Mass: 820.38
• IUPAC Name: N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline
• SMILES: Cc1ccccc1-c1ccccc1Nc1ccc(C2=CCC(c3ccc(Cc4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc3)C=C2)cc1
• InChI: InChI=1S/C62H48N2/c1-43-10-2-3-11-56(43)57-12-4-7-15-60(57)63-54-38-34-52(35-39-54)50-30-26-48(27-31-50)46-22-18-44(19-23-46)42-45-20-24-47(25-21-45)49-28-32-51(33-29-49)53-36-40-55(41-37-53)64-61-16-8-5-13-58(61)59-14-6-9-17-62(59)64/h2-26,28-41,48,63H,27,42H2,1H3
• InChIKey: RLNUECPOBFIGNA-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 16.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.08
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline?

The IUPAC name of N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline (CID 143310257) is N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline.

What is the SMILES notation for N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline?

The canonical SMILES for N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline is Cc1ccccc1-c1ccccc1Nc1ccc(C2=CCC(c3ccc(Cc4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc3)C=C2)cc1.

What is the InChIKey of N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline?

The InChIKey is RLNUECPOBFIGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-43-10-2-3-11-56(43)57-12-4-7-15-60(57)63-54-38-34-52(35-39-54)50-30-26-48(27-31-50)46-22-18-44(19-23-46)42-45-20-24-47(25-21-45)49-28-32-51(33-29-49)53-36-40-55(41-37-53)64-61-16-8-5-13-58(61)59-14-6-9-17-62(59)64/h2-26,28-41,48,63H,27,42H2,1H3.

What are the key properties of N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline?

N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline has a molecular weight of 821.08 g/mol, XLogP of 16.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline is sourced from PubChem (CID 143310257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).