4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine

C56H36N2O — CID 176608215

IUPAC4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cc3ccccc3c3ccccc23)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C56H36N2O/c1-2-17-37(18-3-1)42-23-8-12-29-49(42)58(53-36-39-19-4-5-22-41(39)44-24-6-7-25-45(44)53)52-34-33-43(56-55(52)48-28-11-15-32-54(48)59-56)38-20-16-21-40(35-38)57-50-30-13-9-26-46(50)47-27-10-14-31-51(47)57/h1-36H
InChIKeySOIBLGBGSFJBNG-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176608215) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
PubChem CID176608215
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cc3ccccc3c3ccccc23)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C56H36N2O/c1-2-17-37(18-3-1)42-23-8-12-29-49(42)58(53-36-39-19-4-5-22-41(39)44-24-6-7-25-45(44)53)52-34-33-43(56-55(52)48-28-11-15-32-54(48)59-56)38-20-16-21-40(35-38)57-50-30-13-9-26-46(50)47-27-10-14-31-51(47)57/h1-36H
InChIKeySOIBLGBGSFJBNG-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
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-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine
CID 176609843
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176610076
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-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608016
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
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-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609549
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-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine (CID 176608215) is 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2cc3ccccc3c3ccccc23)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is SOIBLGBGSFJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-17-37(18-3-1)42-23-8-12-29-49(42)58(53-36-39-19-4-5-22-41(39)44-24-6-7-25-45(44)53)52-34-33-43(56-55(52)48-28-11-15-32-54(48)59-56)38-20-16-21-40(35-38)57-50-30-13-9-26-46(50)47-27-10-14-31-51(47)57/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 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-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176608215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).