4-phenyl-N,N,3-tris(4-phenylphenyl)aniline

C48H35N — CID 121477646

IUPAC4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-5-13-36(14-6-1)39-21-23-43(24-22-39)48-35-46(33-34-47(48)42-19-11-4-12-20-42)49(44-29-25-40(26-30-44)37-15-7-2-8-16-37)45-31-27-41(28-32-45)38-17-9-3-10-18-38/h1-35H
InChIKeyWVBOJGIALIIKCN-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.49
Rot. Bonds8

About 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline (PubChem CID 121477646) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
PubChem CID121477646
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-5-13-36(14-6-1)39-21-23-43(24-22-39)48-35-46(33-34-47(48)42-19-11-4-12-20-42)49(44-29-25-40(26-30-44)37-15-7-2-8-16-37)45-31-27-41(28-32-45)38-17-9-3-10-18-38/h1-35H
InChIKeyWVBOJGIALIIKCN-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline (CID 121477646) is 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline?
The InChIKey is WVBOJGIALIIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-5-13-36(14-6-1)39-21-23-43(24-22-39)48-35-46(33-34-47(48)42-19-11-4-12-20-42)49(44-29-25-40(26-30-44)37-15-7-2-8-16-37)45-31-27-41(28-32-45)38-17-9-3-10-18-38/h1-35H.
What are the key properties of 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline?
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline has a molecular weight of 625.82 g/mol, XLogP of 13.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,N,3-tris(4-phenylphenyl)aniline is sourced from PubChem (CID 121477646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).