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

C58H36N2O2 — CID 176608726

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C58H36N2O2/c1-2-18-42-37(14-1)15-12-26-49(42)60(41-17-11-16-39(36-41)43-23-13-29-55-57(43)48-22-6-10-28-54(48)61-55)52-35-34-47-46-21-5-9-27-53(46)62-58(47)56(52)38-30-32-40(33-31-38)59-50-24-7-3-19-44(50)45-20-4-8-25-51(45)59/h1-36H
InChIKeyBUKPYKPJJRHKNU-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.54
Rot. Bonds6

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

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 176608726) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID176608726
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C58H36N2O2/c1-2-18-42-37(14-1)15-12-26-49(42)60(41-17-11-16-39(36-41)43-23-13-29-55-57(43)48-22-6-10-28-54(48)61-55)52-35-34-47-46-21-5-9-27-53(46)62-58(47)56(52)38-30-32-40(33-31-38)59-50-24-7-3-19-44(50)45-20-4-8-25-51(45)59/h1-36H
InChIKeyBUKPYKPJJRHKNU-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-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608424
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608527
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 176608220
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176608752
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 155398283
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine
CID 176610078
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298522
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176609179

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine (CID 176608726) is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3ccccc23)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is BUKPYKPJJRHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-18-42-37(14-1)15-12-26-49(42)60(41-17-11-16-39(36-41)43-23-13-29-55-57(43)48-22-6-10-28-54(48)61-55)52-35-34-47-46-21-5-9-27-53(46)62-58(47)56(52)38-30-32-40(33-31-38)59-50-24-7-3-19-44(50)45-20-4-8-25-51(45)59/h1-36H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-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-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 176608726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).