N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline

C39H34N2 — CID 122463724

IUPACN,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
SMILESCC(C)(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C39H34N2/c1-39(2,31-17-15-27-37(29-31)40(33-19-7-3-8-20-33)34-21-9-4-10-22-34)32-18-16-28-38(30-32)41(35-23-11-5-12-24-35)36-25-13-6-14-26-36/h3-30H,1-2H3
InChIKeyJXSIQTRHUJNPDK-UHFFFAOYSA-N
MW530.72 g/mol
LogP10.95
Rot. Bonds8

About N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline

N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline (PubChem CID 122463724) has the molecular formula C39H34N2 and a molecular weight of 530.72 g/mol. Its IUPAC name is N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
PubChem CID122463724
Molecular FormulaC39H34N2
Molecular Weight530.72 g/mol
Exact Mass530.27
IUPAC NameN,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
SMILESCC(C)(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C39H34N2/c1-39(2,31-17-15-27-37(29-31)40(33-19-7-3-8-20-33)34-21-9-4-10-22-34)32-18-16-28-38(30-32)41(35-23-11-5-12-24-35)36-25-13-6-14-26-36/h3-30H,1-2H3
InChIKeyJXSIQTRHUJNPDK-UHFFFAOYSA-N
XLogP10.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
CID 176854873
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine
CID 168843333
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
4-tert-butyl-N,N-diphenylaniline
CID 11312667
2-phenylpropan-2-ylbenzene
CID 13065
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
3-bromo-5-tert-butyl-N,N-diphenylaniline
CID 164760129
7-[bis[3-(2-phenylpropan-2-yl)phenyl]methyl]-5,5-dioxo-N,N-bis[3-(2-phenylpropan-2-yl)phenyl]dibenzothiophen-3-amine
CID 59972652

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline (CID 122463724) is N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline is CC(C)(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline?
The InChIKey is JXSIQTRHUJNPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2/c1-39(2,31-17-15-27-37(29-31)40(33-19-7-3-8-20-33)34-21-9-4-10-22-34)32-18-16-28-38(30-32)41(35-23-11-5-12-24-35)36-25-13-6-14-26-36/h3-30H,1-2H3.
What are the key properties of N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline?
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline has a molecular weight of 530.72 g/mol, XLogP of 10.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline is sourced from PubChem (CID 122463724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).