4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine

C63H44N2O — CID 176609664

IUPAC4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccc5c(oc6ccccc65)c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc21
InChIInChI=1S/C63H44N2O/c1-63(2)54-26-11-6-22-48(54)49-36-33-44(40-55(49)63)43-19-16-20-46(39-43)65(56-27-12-7-21-47(56)41-17-4-3-5-18-41)59-38-37-53-52-25-10-15-30-60(52)66-62(53)61(59)42-31-34-45(35-32-42)64-57-28-13-8-23-50(57)51-24-9-14-29-58(51)64/h3-40H,1-2H3
InChIKeyGXMWMLKQWLRVQQ-UHFFFAOYSA-N
MW845.06 g/mol
LogP17.46
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine

4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 176609664) has the molecular formula C63H44N2O and a molecular weight of 845.06 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
PubChem CID176609664
Molecular FormulaC63H44N2O
Molecular Weight845.06 g/mol
Exact Mass844.35
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccc5c(oc6ccccc65)c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc21
InChIInChI=1S/C63H44N2O/c1-63(2)54-26-11-6-22-48(54)49-36-33-44(40-55(49)63)43-19-16-20-46(39-43)65(56-27-12-7-21-47(56)41-17-4-3-5-18-41)59-38-37-53-52-25-10-15-30-60(52)66-62(53)61(59)42-31-34-45(35-32-42)64-57-28-13-8-23-50(57)51-24-9-14-29-58(51)64/h3-40H,1-2H3
InChIKeyGXMWMLKQWLRVQQ-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609217
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608294
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
CID 176608138
N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
CID 168839404
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314668
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine (CID 176609664) is 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccc5c(oc6ccccc65)c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc21.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is GXMWMLKQWLRVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O/c1-63(2)54-26-11-6-22-48(54)49-36-33-44(40-55(49)63)43-19-16-20-46(39-43)65(56-27-12-7-21-47(56)41-17-4-3-5-18-41)59-38-37-53-52-25-10-15-30-60(52)66-62(53)61(59)42-31-34-45(35-32-42)64-57-28-13-8-23-50(57)51-24-9-14-29-58(51)64/h3-40H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 845.06 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-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176609664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).