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

C58H38N2O — CID 167235810

IUPACN-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C58H38N2O/c1-2-14-41(15-3-1)49-33-29-44(43-26-25-39-13-4-5-16-42(39)35-43)36-56(49)59(46-31-27-40(28-32-46)45-30-34-53-52-21-8-11-24-57(52)61-58(53)37-45)47-17-12-18-48(38-47)60-54-22-9-6-19-50(54)51-20-7-10-23-55(51)60/h1-38H
InChIKeyFJBHNGBCDGJXRX-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline (PubChem CID 167235810) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
PubChem CID167235810
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C58H38N2O/c1-2-14-41(15-3-1)49-33-29-44(43-26-25-39-13-4-5-16-42(39)35-43)36-56(49)59(46-31-27-40(28-32-46)45-30-34-53-52-21-8-11-24-57(52)61-58(53)37-45)47-17-12-18-48(38-47)60-54-22-9-6-19-50(54)51-20-7-10-23-55(51)60/h1-38H
InChIKeyFJBHNGBCDGJXRX-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 158671562
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153314763
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167234431
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-phenylaniline
CID 160869383
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline (CID 167235810) is N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The InChIKey is FJBHNGBCDGJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-14-41(15-3-1)49-33-29-44(43-26-25-39-13-4-5-16-42(39)35-43)36-56(49)59(46-31-27-40(28-32-46)45-30-34-53-52-21-8-11-24-57(52)61-58(53)37-45)47-17-12-18-48(38-47)60-54-22-9-6-19-50(54)51-20-7-10-23-55(51)60/h1-38H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline is sourced from PubChem (CID 167235810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).