1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine

C42H34N4 — CID 164772262

IUPAC1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccccc2Nc2ccccc2Nc2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H34N4/c1-5-19-33(20-6-1)45(34-21-7-2-8-22-34)41-31-17-15-29-39(41)43-37-27-13-14-28-38(37)44-40-30-16-18-32-42(40)46(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-32,43-44H
InChIKeyOQGBGWIAOCKNIF-UHFFFAOYSA-N
MW594.76 g/mol
LogP12.11
Rot. Bonds10

About 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine

1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine (PubChem CID 164772262) has the molecular formula C42H34N4 and a molecular weight of 594.76 g/mol. Its IUPAC name is 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine
PubChem CID164772262
Molecular FormulaC42H34N4
Molecular Weight594.76 g/mol
Exact Mass594.28
IUPAC Name1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccccc2Nc2ccccc2Nc2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H34N4/c1-5-19-33(20-6-1)45(34-21-7-2-8-22-34)41-31-17-15-29-39(41)43-37-27-13-14-28-38(37)44-40-30-16-18-32-42(40)46(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-32,43-44H
InChIKeyOQGBGWIAOCKNIF-UHFFFAOYSA-N
XLogP12.11
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 512.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
N,N-diphenylaniline;silane
CID 131739129
N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780189

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine (CID 164772262) is 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine is c1ccc(N(c2ccccc2)c2ccccc2Nc2ccccc2Nc2ccccc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine?
The InChIKey is OQGBGWIAOCKNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4/c1-5-19-33(20-6-1)45(34-21-7-2-8-22-34)41-31-17-15-29-39(41)43-37-27-13-14-28-38(37)44-40-30-16-18-32-42(40)46(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-32,43-44H.
What are the key properties of 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine?
1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine has a molecular weight of 594.76 g/mol, XLogP of 12.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 164772262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).