1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine

C72H52N4 — CID 58161352

IUPAC1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2cc(-c2ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2)c2ccccc23)cc1
InChIInChI=1S/C72H52N4/c1-8-24-54(25-9-1)70-69-52-68(66-38-22-23-39-67(66)72(69)76(60-36-20-7-21-37-60)71(70)55-26-10-2-11-27-55)53-40-42-61(43-41-53)75(64-48-44-62(45-49-64)73(56-28-12-3-13-29-56)57-30-14-4-15-31-57)65-50-46-63(47-51-65)74(58-32-16-5-17-33-58)59-34-18-6-19-35-59/h1-52H
InChIKeyZUPSEJRWHDKLHD-UHFFFAOYSA-N
MW973.24 g/mol
LogP20.19
Rot. Bonds13

About 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine (PubChem CID 58161352) has the molecular formula C72H52N4 and a molecular weight of 973.24 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine
PubChem CID58161352
Molecular FormulaC72H52N4
Molecular Weight973.24 g/mol
Exact Mass972.42
IUPAC Name1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2cc(-c2ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2)c2ccccc23)cc1
InChIInChI=1S/C72H52N4/c1-8-24-54(25-9-1)70-69-52-68(66-38-22-23-39-67(66)72(69)76(60-36-20-7-21-37-60)71(70)55-26-10-2-11-27-55)53-40-42-61(43-41-53)75(64-48-44-62(45-49-64)73(56-28-12-3-13-29-56)57-30-14-4-15-31-57)65-50-46-63(47-51-65)74(58-32-16-5-17-33-58)59-34-18-6-19-35-59/h1-52H
InChIKeyZUPSEJRWHDKLHD-UHFFFAOYSA-N
XLogP20.19
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.24
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]aniline
CID 58161429
N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine
CID 58161399
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine
CID 88969898
4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine
CID 88967342
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
CID 118315838
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine (CID 58161352) is 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2cc(-c2ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2)c2ccccc23)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine?
The InChIKey is ZUPSEJRWHDKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N4/c1-8-24-54(25-9-1)70-69-52-68(66-38-22-23-39-67(66)72(69)76(60-36-20-7-21-37-60)71(70)55-26-10-2-11-27-55)53-40-42-61(43-41-53)75(64-48-44-62(45-49-64)73(56-28-12-3-13-29-56)57-30-14-4-15-31-57)65-50-46-63(47-51-65)74(58-32-16-5-17-33-58)59-34-18-6-19-35-59/h1-52H.
What are the key properties of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine?
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine has a molecular weight of 973.24 g/mol, XLogP of 20.19, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 58161352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).