N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine

C57H38N2O — CID 162779801

IUPACN-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65Cc6ccccc6C5)cc4)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C57H38N2O/c1-2-14-41(15-3-1)59-53-20-10-7-17-46(53)47-29-27-44(34-54(47)59)58(43-28-31-56-50(33-43)48-18-8-11-21-55(48)60-56)42-25-22-37(23-26-42)38-24-30-52-49(32-38)45-16-6-9-19-51(45)57(52)35-39-12-4-5-13-40(39)36-57/h1-34H,35-36H2
InChIKeyGKPBRXKMLPYESJ-UHFFFAOYSA-N
MW766.94 g/mol
LogP14.89
Rot. Bonds5

About N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine

N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine (PubChem CID 162779801) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine
PubChem CID162779801
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC NameN-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65Cc6ccccc6C5)cc4)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C57H38N2O/c1-2-14-41(15-3-1)59-53-20-10-7-17-46(53)47-29-27-44(34-54(47)59)58(43-28-31-56-50(33-43)48-18-8-11-21-55(48)60-56)42-25-22-37(23-26-42)38-24-30-52-49(32-38)45-16-6-9-19-51(45)57(52)35-39-12-4-5-13-40(39)36-57/h1-34H,35-36H2
InChIKeyGKPBRXKMLPYESJ-UHFFFAOYSA-N
XLogP14.89
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine
CID 162779852
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800
N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)carbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)carbazol-2-amine;N-dibenzofuran-4-yl-9-phenyl-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 158975502
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 171057527
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine (CID 162779801) is N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65Cc6ccccc6C5)cc4)c4ccc5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine?
The InChIKey is GKPBRXKMLPYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-2-14-41(15-3-1)59-53-20-10-7-17-46(53)47-29-27-44(34-54(47)59)58(43-28-31-56-50(33-43)48-18-8-11-21-55(48)60-56)42-25-22-37(23-26-42)38-24-30-52-49(32-38)45-16-6-9-19-51(45)57(52)35-39-12-4-5-13-40(39)36-57/h1-34H,35-36H2.
What are the key properties of N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine?
N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine has a molecular weight of 766.94 g/mol, XLogP of 14.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine is sourced from PubChem (CID 162779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).