4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine

C62H44N2O — CID 176607810

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2cc(C)c(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)ccc1-c1ccccc1
InChIInChI=1S/C62H44N2O/c1-41-35-48(33-34-51(41)43-19-6-3-7-20-43)63(49-36-42(2)61(45-23-10-5-11-24-45)55(38-49)44-21-8-4-9-22-44)50-39-56(62-57(40-50)54-29-14-17-32-60(54)65-62)46-25-18-26-47(37-46)64-58-30-15-12-27-52(58)53-28-13-16-31-59(53)64/h3-40H,1-2H3
InChIKeyACLLOPYWSQABHR-UHFFFAOYSA-N
MW833.05 g/mol
LogP17.44
Rot. Bonds8

About 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine

4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176607810) has the molecular formula C62H44N2O and a molecular weight of 833.05 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
PubChem CID176607810
Molecular FormulaC62H44N2O
Molecular Weight833.05 g/mol
Exact Mass832.35
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2cc(C)c(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)ccc1-c1ccccc1
InChIInChI=1S/C62H44N2O/c1-41-35-48(33-34-51(41)43-19-6-3-7-20-43)63(49-36-42(2)61(45-23-10-5-11-24-45)55(38-49)44-21-8-4-9-22-44)50-39-56(62-57(40-50)54-29-14-17-32-60(54)65-62)46-25-18-26-47(37-46)64-58-30-15-12-27-52(58)53-28-13-16-31-59(53)64/h3-40H,1-2H3
InChIKeyACLLOPYWSQABHR-UHFFFAOYSA-N
XLogP17.44
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.05
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609660
4-(2-carbazol-9-ylphenyl)-N,N-bis(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608574
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609649
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608369
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608559
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608653
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315073
4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
CID 176609757
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine (CID 176607810) is 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine is Cc1cc(N(c2cc(C)c(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)ccc1-c1ccccc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is ACLLOPYWSQABHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O/c1-41-35-48(33-34-51(41)43-19-6-3-7-20-43)63(49-36-42(2)61(45-23-10-5-11-24-45)55(38-49)44-21-8-4-9-22-44)50-39-56(62-57(40-50)54-29-14-17-32-60(54)65-62)46-25-18-26-47(37-46)64-58-30-15-12-27-52(58)53-28-13-16-31-59(53)64/h3-40H,1-2H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 833.05 g/mol, XLogP of 17.44, 8 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-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176607810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).