9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine

C58H39N3 — CID 170286785

IUPAC9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C58H39N3/c1-3-17-40(18-4-1)46-24-9-12-28-52(46)59(45-37-38-50-49-25-10-13-29-54(49)61(57(50)39-45)53-31-15-20-41-19-7-8-23-47(41)53)44-35-33-42(34-36-44)48-27-16-32-56-58(48)51-26-11-14-30-55(51)60(56)43-21-5-2-6-22-43/h1-39H
InChIKeyZKGLBUXWEOSKLF-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine

9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 170286785) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID170286785
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C58H39N3/c1-3-17-40(18-4-1)46-24-9-12-28-52(46)59(45-37-38-50-49-25-10-13-29-54(49)61(57(50)39-45)53-31-15-20-41-19-7-8-23-47(41)53)44-35-33-42(34-36-44)48-27-16-32-56-58(48)51-26-11-14-30-55(51)60(56)43-21-5-2-6-22-43/h1-39H
InChIKeyZKGLBUXWEOSKLF-UHFFFAOYSA-N
XLogP15.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009864
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170379906
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine
CID 169285459
4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 154965993
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine (CID 170286785) is 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is ZKGLBUXWEOSKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-3-17-40(18-4-1)46-24-9-12-28-52(46)59(45-37-38-50-49-25-10-13-29-54(49)61(57(50)39-45)53-31-15-20-41-19-7-8-23-47(41)53)44-35-33-42(34-36-44)48-27-16-32-56-58(48)51-26-11-14-30-55(51)60(56)43-21-5-2-6-22-43/h1-39H.
What are the key properties of 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine?
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine has a molecular weight of 777.97 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170286785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).