N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline

C52H34N2O — CID 153314589

IUPACN-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C52H34N2O/c1-2-20-41-35(14-1)15-12-25-42(41)43-21-3-7-26-48(43)53(38-17-11-16-36(32-38)37-30-31-47-46-24-6-10-29-51(46)55-52(47)33-37)39-18-13-19-40(34-39)54-49-27-8-4-22-44(49)45-23-5-9-28-50(45)54/h1-34H
InChIKeyUNRJOFMYDGWXAQ-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline

N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline (PubChem CID 153314589) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline
PubChem CID153314589
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C52H34N2O/c1-2-20-41-35(14-1)15-12-25-42(41)43-21-3-7-26-48(43)53(38-17-11-16-36(32-38)37-30-31-47-46-24-6-10-29-51(46)55-52(47)33-37)39-18-13-19-40(34-39)54-49-27-8-4-22-44(49)45-23-5-9-28-50(45)54/h1-34H
InChIKeyUNRJOFMYDGWXAQ-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325919
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 155398314
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
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)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 155398283
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153314763
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-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 167179628

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline (CID 153314589) is N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline?
The InChIKey is UNRJOFMYDGWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-20-41-35(14-1)15-12-25-42(41)43-21-3-7-26-48(43)53(38-17-11-16-36(32-38)37-30-31-47-46-24-6-10-29-51(46)55-52(47)33-37)39-18-13-19-40(34-39)54-49-27-8-4-22-44(49)45-23-5-9-28-50(45)54/h1-34H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline?
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 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-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline is sourced from PubChem (CID 153314589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).