N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline

C30H24N2 — CID 22497353

IUPACN-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
SMILESc1ccc(Nc2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24N2/c1-4-12-25(13-5-1)31-30-19-11-10-18-29(30)24-20-22-28(23-21-24)32(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,31H
InChIKeyLNUINAALCMGQRK-UHFFFAOYSA-N
MW412.54 g/mol
LogP8.57
Rot. Bonds6

About N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline

N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline (PubChem CID 22497353) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
PubChem CID22497353
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC NameN-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
SMILESc1ccc(Nc2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H24N2/c1-4-12-25(13-5-1)31-30-19-11-10-18-29(30)24-20-22-28(23-21-24)32(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,31H
InChIKeyLNUINAALCMGQRK-UHFFFAOYSA-N
XLogP8.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
1-N,3-N,5-N-tris[2-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,3,5-triamine
CID 22034592
benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine
CID 67787000
5-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3,5-triamine
CID 164833179
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine
CID 163698400
2-[3-(N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-4-naphthalen-1-ylanilino)phenyl]-N-phenylaniline
CID 169063785
2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde
CID 87842525

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline?
The IUPAC name of N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline (CID 22497353) is N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline.
What is the SMILES notation for N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline?
The canonical SMILES for N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline is c1ccc(Nc2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline?
The InChIKey is LNUINAALCMGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-4-12-25(13-5-1)31-30-19-11-10-18-29(30)24-20-22-28(23-21-24)32(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,31H.
What are the key properties of N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline?
N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline has a molecular weight of 412.54 g/mol, XLogP of 8.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline is sourced from PubChem (CID 22497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).