N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline

C56H38N2 — CID 167234431

IUPACN-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C56H38N2/c1-2-15-42(16-3-1)51-34-31-47(46-28-26-40-14-5-7-18-44(40)36-46)37-56(51)57(48-32-29-41(30-33-48)45-27-25-39-13-4-6-17-43(39)35-45)49-19-12-20-50(38-49)58-54-23-10-8-21-52(54)53-22-9-11-24-55(53)58/h1-38H
InChIKeyNASVGKDHDOGANC-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline

N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 167234431) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID167234431
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C56H38N2/c1-2-15-42(16-3-1)51-34-31-47(46-28-26-40-14-5-7-18-44(40)36-46)37-56(51)57(48-32-29-41(30-33-48)45-27-25-39-13-4-6-17-43(39)35-45)49-19-12-20-50(38-49)58-54-23-10-8-21-52(54)53-22-9-11-24-55(53)58/h1-38H
InChIKeyNASVGKDHDOGANC-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167235810
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167234428
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
N-(4-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-phenylaniline
CID 167236410
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578844

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (CID 167234431) is N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is NASVGKDHDOGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-15-42(16-3-1)51-34-31-47(46-28-26-40-14-5-7-18-44(40)36-46)37-56(51)57(48-32-29-41(30-33-48)45-27-25-39-13-4-6-17-43(39)35-45)49-19-12-20-50(38-49)58-54-23-10-8-21-52(54)53-22-9-11-24-55(53)58/h1-38H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167234431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).