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

C36H28N2 — CID 129300972

IUPAC2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2/c1-4-12-30(13-5-1)35-18-10-11-19-36(35)37-31-24-20-28(21-25-31)29-22-26-34(27-23-29)38(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27,37H
InChIKeyAUEXCXGYEPLHRR-UHFFFAOYSA-N
MW488.63 g/mol
LogP10.23
Rot. Bonds7

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

2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline (PubChem CID 129300972) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
PubChem CID129300972
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2/c1-4-12-30(13-5-1)35-18-10-11-19-36(35)37-31-24-20-28(21-25-31)29-22-26-34(27-23-29)38(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27,37H
InChIKeyAUEXCXGYEPLHRR-UHFFFAOYSA-N
XLogP10.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
1-N,3-N,5-N-tris[2-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,3,5-triamine
CID 22034592
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
benzene;N,2-diphenylaniline
CID 175029921
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine
CID 67787000
4-N,4-N-bis[4-[2-(3-methylphenyl)anilino]phenyl]-1-N-[2-(3-methylphenyl)phenyl]benzene-1,4-diamine
CID 22723550
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The IUPAC name of 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline (CID 129300972) is 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The canonical SMILES for 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline is c1ccc(-c2ccccc2Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The InChIKey is AUEXCXGYEPLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-4-12-30(13-5-1)35-18-10-11-19-36(35)37-31-24-20-28(21-25-31)29-22-26-34(27-23-29)38(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27,37H.
What are the key properties of 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline has a molecular weight of 488.63 g/mol, XLogP of 10.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 129300972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).