3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline

C48H36N2 — CID 126731391

IUPAC3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C48H36N2/c1-5-17-37(18-6-1)39-21-13-30-46(33-39)50(47-31-14-22-40(34-47)38-19-7-2-8-20-38)48-32-16-24-42(36-48)41-23-15-29-45(35-41)49(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-36H
InChIKeyQBTKYGBSKKLIFK-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.63
Rot. Bonds9

About 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline

3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 126731391) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
PubChem CID126731391
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C48H36N2/c1-5-17-37(18-6-1)39-21-13-30-46(33-39)50(47-31-14-22-40(34-47)38-19-7-2-8-20-38)48-32-16-24-42(36-48)41-23-15-29-45(35-41)49(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-36H
InChIKeyQBTKYGBSKKLIFK-UHFFFAOYSA-N
XLogP13.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
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
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
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-(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-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
3-(4-aminophenyl)-N,N-diphenylaniline
CID 155173574

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline (CID 126731391) is 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is QBTKYGBSKKLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-17-37(18-6-1)39-21-13-30-46(33-39)50(47-31-14-22-40(34-47)38-19-7-2-8-20-38)48-32-16-24-42(36-48)41-23-15-29-45(35-41)49(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-36H.
What are the key properties of 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline?
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 640.83 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 126731391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).