N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene

C69H55N — CID 144907562

About N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene

N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene (PubChem CID 144907562) has the molecular formula C69H55N and a molecular weight of 898.21 g/mol. Its IUPAC name is N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene.

Molecular Properties

• Compound Name: N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
• PubChem CID: 144907562
• Molecular Formula: C69H55N
• Molecular Weight: 898.21 g/mol
• Exact Mass: 897.43
• IUPAC Name: N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
• SMILES: Cc1cccc(-c2ccccc2-c2ccccc2)c1.Cc1ccccc1-c1ccc(-c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)cc1C
• InChI: InChI=1S/C50H39N.C19H16/c1-36-16-9-10-27-47(36)48-31-30-43(32-37(48)2)50-29-12-11-28-49(50)42-23-15-26-46(35-42)51(44-24-13-21-40(33-44)38-17-5-3-6-18-38)45-25-14-22-41(34-45)39-19-7-4-8-20-39;1-15-8-7-11-17(14-15)19-13-6-5-12-18(19)16-9-3-2-4-10-16/h3-35H,1-2H3;2-14H,1H3
• InChIKey: NNSQHJIJGOSAIH-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.21
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene?

The IUPAC name of N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene (CID 144907562) is N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene.

What is the SMILES notation for N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene?

The canonical SMILES for N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene is Cc1cccc(-c2ccccc2-c2ccccc2)c1.Cc1ccccc1-c1ccc(-c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)cc1C.

What is the InChIKey of N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene?

The InChIKey is NNSQHJIJGOSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N.C19H16/c1-36-16-9-10-27-47(36)48-31-30-43(32-37(48)2)50-29-12-11-28-49(50)42-23-15-26-46(35-42)51(44-24-13-21-40(33-44)38-17-5-3-6-18-38)45-25-14-22-41(34-45)39-19-7-4-8-20-39;1-15-8-7-11-17(14-15)19-13-6-5-12-18(19)16-9-3-2-4-10-16/h3-35H,1-2H3;2-14H,1H3.

What are the key properties of N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene?

N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene has a molecular weight of 898.21 g/mol, XLogP of 19.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene is sourced from PubChem (CID 144907562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).