N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline

C42H32N2 — CID 18780381

IUPACN,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H32N2/c1-6-16-33(17-7-1)42-32-40(44(37-22-12-4-13-23-37)38-24-14-5-15-25-38)30-31-41(42)34-26-28-39(29-27-34)43(35-18-8-2-9-19-35)36-20-10-3-11-21-36/h1-32H
InChIKeyIGVPBCOCUJLMKH-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.96
Rot. Bonds8

About N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline

N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline (PubChem CID 18780381) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline.

Molecular Properties

Compound NameN,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
PubChem CID18780381
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC NameN,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H32N2/c1-6-16-33(17-7-1)42-32-40(44(37-22-12-4-13-23-37)38-24-14-5-15-25-38)30-31-41(42)34-26-28-39(29-27-34)43(35-18-8-2-9-19-35)36-20-10-3-11-21-36/h1-32H
InChIKeyIGVPBCOCUJLMKH-UHFFFAOYSA-N
XLogP11.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515

Frequently Asked Questions

What is the IUPAC name of N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline?
The IUPAC name of N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline (CID 18780381) is N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline.
What is the SMILES notation for N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline?
The canonical SMILES for N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline is c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline?
The InChIKey is IGVPBCOCUJLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-6-16-33(17-7-1)42-32-40(44(37-22-12-4-13-23-37)38-24-14-5-15-25-38)30-31-41(42)34-26-28-39(29-27-34)43(35-18-8-2-9-19-35)36-20-10-3-11-21-36/h1-32H.
What are the key properties of N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline?
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline has a molecular weight of 564.73 g/mol, XLogP of 11.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline is sourced from PubChem (CID 18780381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).