N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline

C30H22ClN — CID 123790773

IUPACN-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
SMILESClc1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22ClN/c31-27-17-19-28(20-18-27)32(29-15-7-13-25(21-29)23-9-3-1-4-10-23)30-16-8-14-26(22-30)24-11-5-2-6-12-24/h1-22H
InChIKeyDDAOWLGORGETAW-UHFFFAOYSA-N
MW431.97 g/mol
LogP9.14
Rot. Bonds5

About N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline

N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 123790773) has the molecular formula C30H22ClN and a molecular weight of 431.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
PubChem CID123790773
Molecular FormulaC30H22ClN
Molecular Weight431.97 g/mol
Exact Mass431.14
IUPAC NameN-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
SMILESClc1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22ClN/c31-27-17-19-28(20-18-27)32(29-15-7-13-25(21-29)23-9-3-1-4-10-23)30-16-8-14-26(22-30)24-11-5-2-6-12-24/h1-22H
InChIKeyDDAOWLGORGETAW-UHFFFAOYSA-N
XLogP9.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline (CID 123790773) is N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline is Clc1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is DDAOWLGORGETAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN/c31-27-17-19-28(20-18-27)32(29-15-7-13-25(21-29)23-9-3-1-4-10-23)30-16-8-14-26(22-30)24-11-5-2-6-12-24/h1-22H.
What are the key properties of N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 431.97 g/mol, XLogP of 9.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 123790773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).