4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine

C58H36N2O2 — CID 176609843

IUPAC4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cccc4ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2O2/c1-2-20-40-37(16-1)17-14-30-48(40)60(51-29-10-5-23-44(51)45-26-15-33-55-56(45)46-24-6-11-31-53(46)61-55)52-35-34-41(58-57(52)47-25-7-12-32-54(47)62-58)38-18-13-19-39(36-38)59-49-27-8-3-21-42(49)43-22-4-9-28-50(43)59/h1-36H
InChIKeyXTEIXGSCKPACBZ-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.54
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine (PubChem CID 176609843) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine
PubChem CID176609843
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cccc4ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2O2/c1-2-20-40-37(16-1)17-14-30-48(40)60(51-29-10-5-23-44(51)45-26-15-33-55-56(45)46-24-6-11-31-53(46)61-55)52-35-34-41(58-57(52)47-25-7-12-32-54(47)62-58)38-18-13-19-39(36-38)59-49-27-8-3-21-42(49)43-22-4-9-28-50(43)59/h1-36H
InChIKeyXTEIXGSCKPACBZ-UHFFFAOYSA-N
XLogP16.54
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 176608215
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 155398283
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176610076

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine (CID 176609843) is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine is c1cc(-c2ccc(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cccc4ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine?
The InChIKey is XTEIXGSCKPACBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-20-40-37(16-1)17-14-30-48(40)60(51-29-10-5-23-44(51)45-26-15-33-55-56(45)46-24-6-11-31-53(46)61-55)52-35-34-41(58-57(52)47-25-7-12-32-54(47)62-58)38-18-13-19-39(36-38)59-49-27-8-3-21-42(49)43-22-4-9-28-50(43)59/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine has a molecular weight of 792.94 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine is sourced from PubChem (CID 176609843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).