1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

C60H44N4 — CID 177275836

IUPAC1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C60H44N4/c1-6-20-47(21-7-1)61(48-22-8-2-9-23-48)53-30-18-32-55(43-53)63(56-33-19-31-54(44-56)62(49-24-10-3-11-25-49)50-26-12-4-13-27-50)52-39-36-45(37-40-52)46-38-41-60-58(42-46)57-34-16-17-35-59(57)64(60)51-28-14-5-15-29-51/h1-44H
InChIKeyAAEGLLSRKXFDPS-UHFFFAOYSA-N
MW821.04 g/mol
LogP16.86
Rot. Bonds11

About 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (PubChem CID 177275836) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
PubChem CID177275836
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC Name1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C60H44N4/c1-6-20-47(21-7-1)61(48-22-8-2-9-23-48)53-30-18-32-55(43-53)63(56-33-19-31-54(44-56)62(49-24-10-3-11-25-49)50-26-12-4-13-27-50)52-39-36-45(37-40-52)46-38-41-60-58(42-46)57-34-16-17-35-59(57)64(60)51-28-14-5-15-29-51/h1-44H
InChIKeyAAEGLLSRKXFDPS-UHFFFAOYSA-N
XLogP16.86
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (CID 177275836) is 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(N(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The InChIKey is AAEGLLSRKXFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4/c1-6-20-47(21-7-1)61(48-22-8-2-9-23-48)53-30-18-32-55(43-53)63(56-33-19-31-54(44-56)62(49-24-10-3-11-25-49)50-26-12-4-13-27-50)52-39-36-45(37-40-52)46-38-41-60-58(42-46)57-34-16-17-35-59(57)64(60)51-28-14-5-15-29-51/h1-44H.
What are the key properties of 1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine has a molecular weight of 821.04 g/mol, XLogP of 16.86, 11 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-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 177275836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).