4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine

C50H36N2O — CID 176609442

IUPAC4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cc(N(c2ccccc2C)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)ccc1-c1ccccc1
InChIInChI=1S/C50H36N2O/c1-33-14-6-10-20-44(33)52(38-28-29-39(34(2)32-38)35-15-4-3-5-16-35)47-31-30-40(50-49(47)43-19-9-13-23-48(43)53-50)36-24-26-37(27-25-36)51-45-21-11-7-17-41(45)42-18-8-12-22-46(42)51/h3-32H,1-2H3
InChIKeyJZPKLLXCZVFUOY-UHFFFAOYSA-N
MW680.85 g/mol
LogP14.10
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine

4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176609442) has the molecular formula C50H36N2O and a molecular weight of 680.85 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176609442
Molecular FormulaC50H36N2O
Molecular Weight680.85 g/mol
Exact Mass680.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cc(N(c2ccccc2C)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)ccc1-c1ccccc1
InChIInChI=1S/C50H36N2O/c1-33-14-6-10-20-44(33)52(38-28-29-39(34(2)32-38)35-15-4-3-5-16-35)47-31-30-40(50-49(47)43-19-9-13-23-48(43)53-50)36-24-26-37(27-25-36)51-45-21-11-7-17-41(45)42-18-8-12-22-46(42)51/h3-32H,1-2H3
InChIKeyJZPKLLXCZVFUOY-UHFFFAOYSA-N
XLogP14.10
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(2,4-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176608299
4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
CID 176609757
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 145060262
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176608048
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398470
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine (CID 176609442) is 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine is Cc1cc(N(c2ccccc2C)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)ccc1-c1ccccc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is JZPKLLXCZVFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O/c1-33-14-6-10-20-44(33)52(38-28-29-39(34(2)32-38)35-15-4-3-5-16-35)47-31-30-40(50-49(47)43-19-9-13-23-48(43)53-50)36-24-26-37(27-25-36)51-45-21-11-7-17-41(45)42-18-8-12-22-46(42)51/h3-32H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 680.85 g/mol, XLogP of 14.10, 6 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-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).