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

C64H42N2O — CID 155398770

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C64H42N2O/c1-2-16-46-42-49(32-31-43(46)15-1)52-19-3-8-25-58(52)65(61-28-11-6-22-55(61)56-24-14-30-63-64(56)57-23-7-12-29-62(57)67-63)50-37-33-44(34-38-50)47-17-13-18-48(41-47)45-35-39-51(40-36-45)66-59-26-9-4-20-53(59)54-21-5-10-27-60(54)66/h1-42H
InChIKeyGNOBPPDIZVBMIN-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

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

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline (PubChem CID 155398770) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
PubChem CID155398770
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C64H42N2O/c1-2-16-46-42-49(32-31-43(46)15-1)52-19-3-8-25-58(52)65(61-28-11-6-22-55(61)56-24-14-30-63-64(56)57-23-7-12-29-62(57)67-63)50-37-33-44(34-38-50)47-17-13-18-48(41-47)45-35-39-51(40-36-45)66-59-26-9-4-20-53(59)54-21-5-10-27-60(54)66/h1-42H
InChIKeyGNOBPPDIZVBMIN-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-(4-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 155398735
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398542
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
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
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155397954
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326322
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline (CID 155398770) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline is c1cc(-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline?
The InChIKey is GNOBPPDIZVBMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-16-46-42-49(32-31-43(46)15-1)52-19-3-8-25-58(52)65(61-28-11-6-22-55(61)56-24-14-30-63-64(56)57-23-7-12-29-62(57)67-63)50-37-33-44(34-38-50)47-17-13-18-48(41-47)45-35-39-51(40-36-45)66-59-26-9-4-20-53(59)54-21-5-10-27-60(54)66/h1-42H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline 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-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline is sourced from PubChem (CID 155398770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).