1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C36H28N2 — CID 59738711

IUPAC1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2/c1-5-13-29(14-6-1)30-21-23-34(24-22-30)38(33-19-11-4-12-20-33)36-27-25-35(26-28-36)37(31-15-7-2-8-16-31)32-17-9-3-10-18-32/h1-28H
InChIKeyFEQGDZRWCPCOLQ-UHFFFAOYSA-N
MW488.63 g/mol
LogP10.29
Rot. Bonds7

About 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 59738711) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID59738711
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2/c1-5-13-29(14-6-1)30-21-23-34(24-22-30)38(33-19-11-4-12-20-33)36-27-25-35(26-28-36)37(31-15-7-2-8-16-31)32-17-9-3-10-18-32/h1-28H
InChIKeyFEQGDZRWCPCOLQ-UHFFFAOYSA-N
XLogP10.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 59738711) is 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is FEQGDZRWCPCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-5-13-29(14-6-1)30-21-23-34(24-22-30)38(33-19-11-4-12-20-33)36-27-25-35(26-28-36)37(31-15-7-2-8-16-31)32-17-9-3-10-18-32/h1-28H.
What are the key properties of 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 488.63 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 59738711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).