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

C57H42N2O — CID 176608653

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1cc(C)c(-c2ccccc2)c(C)c1)c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2oc3ccccc3c2c1
InChIInChI=1S/C57H42N2O/c1-37-32-43(40-16-6-4-7-17-40)28-31-52(37)58(45-33-38(2)56(39(3)34-45)42-18-8-5-9-19-42)46-35-50(57-51(36-46)49-22-12-15-25-55(49)60-57)41-26-29-44(30-27-41)59-53-23-13-10-20-47(53)48-21-11-14-24-54(48)59/h4-36H,1-3H3
InChIKeyLZYYHRJIGRAWCB-UHFFFAOYSA-N
MW770.98 g/mol
LogP16.08
Rot. Bonds7

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

4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176608653) has the molecular formula C57H42N2O and a molecular weight of 770.98 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
PubChem CID176608653
Molecular FormulaC57H42N2O
Molecular Weight770.98 g/mol
Exact Mass770.33
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1cc(C)c(-c2ccccc2)c(C)c1)c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2oc3ccccc3c2c1
InChIInChI=1S/C57H42N2O/c1-37-32-43(40-16-6-4-7-17-40)28-31-52(37)58(45-33-38(2)56(39(3)34-45)42-18-8-5-9-19-42)46-35-50(57-51(36-46)49-22-12-15-25-55(49)60-57)41-26-29-44(30-27-41)59-53-23-13-10-20-47(53)48-21-11-14-24-54(48)59/h4-36H,1-3H3
InChIKeyLZYYHRJIGRAWCB-UHFFFAOYSA-N
XLogP16.08
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
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-(3-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176607810
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608369
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609231
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176607836
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(4-carbazol-9-ylphenyl)-N-(2,4-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176608299
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine (CID 176608653) is 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine is Cc1cc(-c2ccccc2)ccc1N(c1cc(C)c(-c2ccccc2)c(C)c1)c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2oc3ccccc3c2c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is LZYYHRJIGRAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2O/c1-37-32-43(40-16-6-4-7-17-40)28-31-52(37)58(45-33-38(2)56(39(3)34-45)42-18-8-5-9-19-42)46-35-50(57-51(36-46)49-22-12-15-25-55(49)60-57)41-26-29-44(30-27-41)59-53-23-13-10-20-47(53)48-21-11-14-24-54(48)59/h4-36H,1-3H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 770.98 g/mol, XLogP of 16.08, 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-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176608653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).