1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine

C66H51N5 — CID 58623553

IUPAC1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)c3)c2)cc1
InChIInChI=1S/C66H51N5/c1-8-26-52(27-9-1)67(53-28-10-2-11-29-53)59-40-22-42-61(48-59)69(56-34-16-5-17-35-56)63-44-24-46-65(50-63)71(58-38-20-7-21-39-58)66-47-25-45-64(51-66)70(57-36-18-6-19-37-57)62-43-23-41-60(49-62)68(54-30-12-3-13-31-54)55-32-14-4-15-33-55/h1-51H
InChIKeyAYXPKBPBYCXOIO-UHFFFAOYSA-N
MW914.17 g/mol
LogP19.04
Rot. Bonds15

About 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine (PubChem CID 58623553) has the molecular formula C66H51N5 and a molecular weight of 914.17 g/mol. Its IUPAC name is 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
PubChem CID58623553
Molecular FormulaC66H51N5
Molecular Weight914.17 g/mol
Exact Mass913.41
IUPAC Name1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)c3)c2)cc1
InChIInChI=1S/C66H51N5/c1-8-26-52(27-9-1)67(53-28-10-2-11-29-53)59-40-22-42-61(48-59)69(56-34-16-5-17-35-56)63-44-24-46-65(50-63)71(58-38-20-7-21-39-58)66-47-25-45-64(51-66)70(57-36-18-6-19-37-57)62-43-23-41-60(49-62)68(54-30-12-3-13-31-54)55-32-14-4-15-33-55/h1-51H
InChIKeyAYXPKBPBYCXOIO-UHFFFAOYSA-N
XLogP19.04
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.17
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N,N-diphenylaniline;silane
CID 131739129
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
CID 123228848
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-diphenylaniline;ethene
CID 135186601

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine (CID 58623553) is 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)c3)c2)cc1.
What is the InChIKey of 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine?
The InChIKey is AYXPKBPBYCXOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N5/c1-8-26-52(27-9-1)67(53-28-10-2-11-29-53)59-40-22-42-61(48-59)69(56-34-16-5-17-35-56)63-44-24-46-65(50-63)71(58-38-20-7-21-39-58)66-47-25-45-64(51-66)70(57-36-18-6-19-37-57)62-43-23-41-60(49-62)68(54-30-12-3-13-31-54)55-32-14-4-15-33-55/h1-51H.
What are the key properties of 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine?
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine has a molecular weight of 914.17 g/mol, XLogP of 19.04, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 58623553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).