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

C58H42N4 — CID 177275830

IUPAC3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H42N4/c1-5-22-44(23-6-1)59(45-24-7-2-8-25-45)48-30-18-32-50(40-48)61(51-33-19-31-49(41-51)60(46-26-9-3-10-27-46)47-28-11-4-12-29-47)52-38-39-58-55(42-52)54-35-15-16-36-57(54)62(58)56-37-17-21-43-20-13-14-34-53(43)56/h1-42H
InChIKeyYLTSEDSDRTWERU-UHFFFAOYSA-N
MW795.00 g/mol
LogP16.35
Rot. Bonds10

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

3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine (PubChem CID 177275830) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
PubChem CID177275830
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H42N4/c1-5-22-44(23-6-1)59(45-24-7-2-8-25-45)48-30-18-32-50(40-48)61(51-33-19-31-49(41-51)60(46-26-9-3-10-27-46)47-28-11-4-12-29-47)52-38-39-58-55(42-52)54-35-15-16-36-57(54)62(58)56-37-17-21-43-20-13-14-34-53(43)56/h1-42H
InChIKeyYLTSEDSDRTWERU-UHFFFAOYSA-N
XLogP16.35
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
9-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051
1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 88673327
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169062114
9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine
CID 129194460
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
CID 58273929
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine
CID 58501363

Frequently Asked Questions

What is the IUPAC name of 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine (CID 177275830) is 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The InChIKey is YLTSEDSDRTWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-5-22-44(23-6-1)59(45-24-7-2-8-25-45)48-30-18-32-50(40-48)61(51-33-19-31-49(41-51)60(46-26-9-3-10-27-46)47-28-11-4-12-29-47)52-38-39-58-55(42-52)54-35-15-16-36-57(54)62(58)56-37-17-21-43-20-13-14-34-53(43)56/h1-42H.
What are the key properties of 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine has a molecular weight of 795.00 g/mol, XLogP of 16.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 177275830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).