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

C50H39N — CID 144907542

IUPACN-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1ccccc1-c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1C
InChIInChI=1S/C50H39N/c1-36-13-9-10-18-47(36)48-34-27-43(35-37(48)2)50-20-12-11-19-49(50)42-25-32-46(33-26-42)51(44-28-21-40(22-29-44)38-14-5-3-6-15-38)45-30-23-41(24-31-45)39-16-7-4-8-17-39/h3-35H,1-2H3
InChIKeyXBWWFTGPFJXMJB-UHFFFAOYSA-N
MW653.87 g/mol
LogP14.11
Rot. Bonds8

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

N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 144907542) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID144907542
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC NameN-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1ccccc1-c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1C
InChIInChI=1S/C50H39N/c1-36-13-9-10-18-47(36)48-34-27-43(35-37(48)2)50-20-12-11-19-49(50)42-25-32-46(33-26-42)51(44-28-21-40(22-29-44)38-14-5-3-6-15-38)45-30-23-41(24-31-45)39-16-7-4-8-17-39/h3-35H,1-2H3
InChIKeyXBWWFTGPFJXMJB-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 144907542) is N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Cc1ccccc1-c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1C.
What is the InChIKey of N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is XBWWFTGPFJXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-36-13-9-10-18-47(36)48-34-27-43(35-37(48)2)50-20-12-11-19-49(50)42-25-32-46(33-26-42)51(44-28-21-40(22-29-44)38-14-5-3-6-15-38)45-30-23-41(24-31-45)39-16-7-4-8-17-39/h3-35H,1-2H3.
What are the key properties of N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 653.87 g/mol, XLogP of 14.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 144907542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).