N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline

C64H52N2 — CID 121322800

IUPACN-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccc(Cc4ccccc4)cc3)c3ccccc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(Cc2ccccc2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C64H52N2/c1-47-43-55(35-41-61(47)65(63-29-17-15-27-59(63)53-23-11-5-12-24-53)57-37-31-51(32-38-57)45-49-19-7-3-8-20-49)56-36-42-62(48(2)44-56)66(64-30-18-16-28-60(64)54-25-13-6-14-26-54)58-39-33-52(34-40-58)46-50-21-9-4-10-22-50/h3-44H,45-46H2,1-2H3
InChIKeyUFXHZZYTPVYSKZ-UHFFFAOYSA-N
MW849.13 g/mol
LogP17.43
Rot. Bonds13

About N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline

N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline (PubChem CID 121322800) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
PubChem CID121322800
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC NameN-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccc(Cc4ccccc4)cc3)c3ccccc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(Cc2ccccc2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C64H52N2/c1-47-43-55(35-41-61(47)65(63-29-17-15-27-59(63)53-23-11-5-12-24-53)57-37-31-51(32-38-57)45-49-19-7-3-8-20-49)56-36-42-62(48(2)44-56)66(64-30-18-16-28-60(64)54-25-13-6-14-26-54)58-39-33-52(34-40-58)46-50-21-9-4-10-22-50/h3-44H,45-46H2,1-2H3
InChIKeyUFXHZZYTPVYSKZ-UHFFFAOYSA-N
XLogP17.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N-(4-dibenzothiophen-2-ylphenyl)-4-[4-(4-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 121323011
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
CID 121322783
4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline
CID 87276205
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline (CID 121322800) is N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline is Cc1cc(-c2ccc(N(c3ccc(Cc4ccccc4)cc3)c3ccccc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(Cc2ccccc2)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline?
The InChIKey is UFXHZZYTPVYSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-47-43-55(35-41-61(47)65(63-29-17-15-27-59(63)53-23-11-5-12-24-53)57-37-31-51(32-38-57)45-49-19-7-3-8-20-49)56-36-42-62(48(2)44-56)66(64-30-18-16-28-60(64)54-25-13-6-14-26-54)58-39-33-52(34-40-58)46-50-21-9-4-10-22-50/h3-44H,45-46H2,1-2H3.
What are the key properties of N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline?
N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline has a molecular weight of 849.13 g/mol, XLogP of 17.43, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 121322800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).