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

C61H42N2O — CID 176608369

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C61H42N2O/c1-41-37-47(38-53(44-21-7-3-8-22-44)60(41)45-23-9-4-10-24-45)62(46-35-33-43(34-36-46)42-19-5-2-6-20-42)48-39-54(61-55(40-48)52-28-14-18-32-59(52)64-61)51-27-13-17-31-58(51)63-56-29-15-11-25-49(56)50-26-12-16-30-57(50)63/h2-40H,1H3
InChIKeyLXFZUINIZZAMNW-UHFFFAOYSA-N
MW819.02 g/mol
LogP17.13
Rot. Bonds8

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

4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176608369) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID176608369
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C61H42N2O/c1-41-37-47(38-53(44-21-7-3-8-22-44)60(41)45-23-9-4-10-24-45)62(46-35-33-43(34-36-46)42-19-5-2-6-20-42)48-39-54(61-55(40-48)52-28-14-18-32-59(52)64-61)51-27-13-17-31-58(51)63-56-29-15-11-25-49(56)50-26-12-16-30-57(50)63/h2-40H,1H3
InChIKeyLXFZUINIZZAMNW-UHFFFAOYSA-N
XLogP17.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935
4-(2-carbazol-9-ylphenyl)-N,N-bis(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608574
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
CID 176609116
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176607810
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine
CID 176607745
4-(2-carbazol-9-ylphenyl)-N-(3-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
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)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 176608369) is 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is LXFZUINIZZAMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-41-37-47(38-53(44-21-7-3-8-22-44)60(41)45-23-9-4-10-24-45)62(46-35-33-43(34-36-46)42-19-5-2-6-20-42)48-39-54(61-55(40-48)52-28-14-18-32-59(52)64-61)51-27-13-17-31-58(51)63-56-29-15-11-25-49(56)50-26-12-16-30-57(50)63/h2-40H,1H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 819.02 g/mol, XLogP of 17.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176608369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).