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

C52H34N2O — CID 167324791

IUPACN-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N2O/c1-2-16-36-33-38(32-31-35(36)15-1)37-17-13-18-39(34-37)53(46-25-7-5-21-42(46)44-23-14-24-45-43-22-6-12-30-51(43)55-52(44)45)49-28-10-11-29-50(49)54-47-26-8-3-19-40(47)41-20-4-9-27-48(41)54/h1-34H
InChIKeyROKCCTXPDQBORJ-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline (PubChem CID 167324791) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
PubChem CID167324791
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N2O/c1-2-16-36-33-38(32-31-35(36)15-1)37-17-13-18-39(34-37)53(46-25-7-5-21-42(46)44-23-14-24-45-43-22-6-12-30-51(43)55-52(44)45)49-28-10-11-29-50(49)54-47-26-8-3-19-40(47)41-20-4-9-27-48(41)54/h1-34H
InChIKeyROKCCTXPDQBORJ-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-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544943
2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline;2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)aniline
CID 159924494
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139545256
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322241
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544828
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-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326322
3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(3-phenanthren-9-ylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-9-ylaniline
CID 159843881
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322251
4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608759
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234338
2-(2-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 139544521

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline (CID 167324791) is N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccccc2-c2cccc3c2oc2ccccc23)c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline?
The InChIKey is ROKCCTXPDQBORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-16-36-33-38(32-31-35(36)15-1)37-17-13-18-39(34-37)53(46-25-7-5-21-42(46)44-23-14-24-45-43-22-6-12-30-51(43)55-52(44)45)49-28-10-11-29-50(49)54-47-26-8-3-19-40(47)41-20-4-9-27-48(41)54/h1-34H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline?
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline 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-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 167324791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).