9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine

C52H35N3 — CID 158694626

IUPAC9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H35N3/c1-2-13-36(14-3-1)37-25-27-39(28-26-37)53(48-24-12-16-38-15-4-5-17-43(38)48)42-33-34-52-47(35-42)46-20-8-11-23-51(46)55(52)41-31-29-40(30-32-41)54-49-21-9-6-18-44(49)45-19-7-10-22-50(45)54/h1-35H
InChIKeyIGTZJESTVWNOLI-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.17
Rot. Bonds6

About 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine

9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 158694626) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID158694626
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H35N3/c1-2-13-36(14-3-1)37-25-27-39(28-26-37)53(48-24-12-16-38-15-4-5-17-43(38)48)42-33-34-52-47(35-42)46-20-8-11-23-51(46)55(52)41-31-29-40(30-32-41)54-49-21-9-6-18-44(49)45-19-7-10-22-50(45)54/h1-35H
InChIKeyIGTZJESTVWNOLI-UHFFFAOYSA-N
XLogP14.17
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine (CID 158694626) is 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is IGTZJESTVWNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-2-13-36(14-3-1)37-25-27-39(28-26-37)53(48-24-12-16-38-15-4-5-17-43(38)48)42-33-34-52-47(35-42)46-20-8-11-23-51(46)55(52)41-31-29-40(30-32-41)54-49-21-9-6-18-44(49)45-19-7-10-22-50(45)54/h1-35H.
What are the key properties of 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine?
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 701.87 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 158694626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).