4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine

C62H40N2O — CID 176608189

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C62H40N2O/c1-2-17-41(18-3-1)42-20-14-23-46(37-42)63(47-24-16-22-44(39-47)56-40-45-19-4-5-26-49(45)51-27-6-7-28-52(51)56)59-36-35-50(62-61(59)55-31-10-13-34-60(55)65-62)43-21-15-25-48(38-43)64-57-32-11-8-29-53(57)54-30-9-12-33-58(54)64/h1-40H
InChIKeyDDVRYZFSXVBLSA-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176608189) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID176608189
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C62H40N2O/c1-2-17-41(18-3-1)42-20-14-23-46(37-42)63(47-24-16-22-44(39-47)56-40-45-19-4-5-26-49(45)51-27-6-7-28-52(51)56)59-36-35-50(62-61(59)55-31-10-13-34-60(55)65-62)43-21-15-25-48(38-43)64-57-32-11-8-29-53(57)54-30-9-12-33-58(54)64/h1-40H
InChIKeyDDVRYZFSXVBLSA-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 176608215
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608016
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 176608189) is 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is DDVRYZFSXVBLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-17-41(18-3-1)42-20-14-23-46(37-42)63(47-24-16-22-44(39-47)56-40-45-19-4-5-26-49(45)51-27-6-7-28-52(51)56)59-36-35-50(62-61(59)55-31-10-13-34-60(55)65-62)43-21-15-25-48(38-43)64-57-32-11-8-29-53(57)54-30-9-12-33-58(54)64/h1-40H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 829.02 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176608189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).