N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline

C64H42N2O — CID 167235820

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C64H42N2O/c1-2-17-44(18-3-1)53-39-36-48(47-33-32-43-16-4-5-19-46(43)40-47)42-61(53)65(51-21-14-20-49(41-51)54-26-15-31-63-64(54)57-25-9-13-30-62(57)67-63)50-37-34-45(35-38-50)52-22-6-10-27-58(52)66-59-28-11-7-23-55(59)56-24-8-12-29-60(56)66/h1-42H
InChIKeyFEXYXMHKMASNSE-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline (PubChem CID 167235820) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
PubChem CID167235820
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C64H42N2O/c1-2-17-44(18-3-1)53-39-36-48(47-33-32-43-16-4-5-19-46(43)40-47)42-61(53)65(51-21-14-20-49(41-51)54-26-15-31-63-64(54)57-25-9-13-30-62(57)67-63)50-37-34-45(35-38-50)52-22-6-10-27-58(52)66-59-28-11-7-23-55(59)56-24-8-12-29-60(56)66/h1-42H
InChIKeyFEXYXMHKMASNSE-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234272
N-[4-[2-[2-[5-[4-[4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]naphthalen-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398691
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162201420
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 159481936
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 157152431
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 155398374
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176609179
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline (CID 167235820) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The InChIKey is FEXYXMHKMASNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-17-44(18-3-1)53-39-36-48(47-33-32-43-16-4-5-19-46(43)40-47)42-61(53)65(51-21-14-20-49(41-51)54-26-15-31-63-64(54)57-25-9-13-30-62(57)67-63)50-37-34-45(35-38-50)52-22-6-10-27-58(52)66-59-28-11-7-23-55(59)56-24-8-12-29-60(56)66/h1-42H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline is sourced from PubChem (CID 167235820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).