4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine

C65H44N2O — CID 176608016

IUPAC4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C65H44N2O/c1-65(2)56-26-11-7-21-50(56)51-35-32-42(39-57(51)65)41-30-33-45(34-31-41)66(61-40-44-16-3-4-19-47(44)49-20-5-6-22-52(49)61)60-37-36-48(64-63(60)55-25-10-14-29-62(55)68-64)43-17-15-18-46(38-43)67-58-27-12-8-23-53(58)54-24-9-13-28-59(54)67/h3-40H,1-2H3
InChIKeyQBNSRDOOCPWBQX-UHFFFAOYSA-N
MW869.08 g/mol
LogP18.10
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine (PubChem CID 176608016) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine
PubChem CID176608016
Molecular FormulaC65H44N2O
Molecular Weight869.08 g/mol
Exact Mass868.35
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C65H44N2O/c1-65(2)56-26-11-7-21-50(56)51-35-32-42(39-57(51)65)41-30-33-45(34-31-41)66(61-40-44-16-3-4-19-47(44)49-20-5-6-22-52(49)61)60-37-36-48(64-63(60)55-25-10-14-29-62(55)68-64)43-17-15-18-46(38-43)67-58-27-12-8-23-53(58)54-24-9-13-28-59(54)67/h3-40H,1-2H3
InChIKeyQBNSRDOOCPWBQX-UHFFFAOYSA-N
XLogP18.10
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 518.10
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-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609217
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 176608215
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 176607739
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-1-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 164965639
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155398674
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
CID 129174075
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
CID 176608138
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine (CID 176608016) is 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5oc6ccccc6c45)cc3)cc21.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine?
The InChIKey is QBNSRDOOCPWBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O/c1-65(2)56-26-11-7-21-50(56)51-35-32-42(39-57(51)65)41-30-33-45(34-31-41)66(61-40-44-16-3-4-19-47(44)49-20-5-6-22-52(49)61)60-37-36-48(64-63(60)55-25-10-14-29-62(55)68-64)43-17-15-18-46(38-43)67-58-27-12-8-23-53(58)54-24-9-13-28-59(54)67/h3-40H,1-2H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine has a molecular weight of 869.08 g/mol, XLogP of 18.10, 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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine is sourced from PubChem (CID 176608016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).