chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline

C47H35Cl3N2 — CID 139179155

IUPACchloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline
SMILESClC(Cl)Cl.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C46H34N2.CHCl3/c1-5-15-37(16-6-1)47(38-17-7-2-8-18-38)41-29-25-35(26-30-41)43-33-34-44(46-24-14-13-23-45(43)46)36-27-31-42(32-28-36)48(39-19-9-3-10-20-39)40-21-11-4-12-22-40;2-1(3)4/h1-34H;1H
InChIKeyWTBDBJVBLXBFOP-UHFFFAOYSA-N
MW734.17 g/mol
LogP15.10
Rot. Bonds8

About chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline

chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline (PubChem CID 139179155) has the molecular formula C47H35Cl3N2 and a molecular weight of 734.17 g/mol. Its IUPAC name is chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline.

Molecular Properties

Compound Namechloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline
PubChem CID139179155
Molecular FormulaC47H35Cl3N2
Molecular Weight734.17 g/mol
Exact Mass732.19
IUPAC Namechloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline
SMILESClC(Cl)Cl.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C46H34N2.CHCl3/c1-5-15-37(16-6-1)47(38-17-7-2-8-18-38)41-29-25-35(26-30-41)43-33-34-44(46-24-14-13-23-45(43)46)36-27-31-42(32-28-36)48(39-19-9-3-10-20-39)40-21-11-4-12-22-40;2-1(3)4/h1-34H;1H
InChIKeyWTBDBJVBLXBFOP-UHFFFAOYSA-N
XLogP15.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.17
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 22983512
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904

Frequently Asked Questions

What is the IUPAC name of chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline?
The IUPAC name of chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline (CID 139179155) is chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline.
What is the SMILES notation for chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline?
The canonical SMILES for chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline is ClC(Cl)Cl.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline?
The InChIKey is WTBDBJVBLXBFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2.CHCl3/c1-5-15-37(16-6-1)47(38-17-7-2-8-18-38)41-29-25-35(26-30-41)43-33-34-44(46-24-14-13-23-45(43)46)36-27-31-42(32-28-36)48(39-19-9-3-10-20-39)40-21-11-4-12-22-40;2-1(3)4/h1-34H;1H.
What are the key properties of chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline?
chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline has a molecular weight of 734.17 g/mol, XLogP of 15.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline is sourced from PubChem (CID 139179155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).