4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine

C51H38N2O — CID 176608419

IUPAC4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
SMILESCc1cccc(N(c2cc(C)c(-c3ccccc3)cc2C)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)c1
InChIInChI=1S/C51H38N2O/c1-33-16-15-19-37(30-33)52(48-32-34(2)43(31-35(48)3)36-17-5-4-6-18-36)47-29-28-41(51-50(47)42-23-10-14-27-49(42)54-51)40-22-9-13-26-46(40)53-44-24-11-7-20-38(44)39-21-8-12-25-45(39)53/h4-32H,1-3H3
InChIKeyOSXSWXJFXOBFLV-UHFFFAOYSA-N
MW694.88 g/mol
LogP14.41
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine (PubChem CID 176608419) has the molecular formula C51H38N2O and a molecular weight of 694.88 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
PubChem CID176608419
Molecular FormulaC51H38N2O
Molecular Weight694.88 g/mol
Exact Mass694.30
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
SMILESCc1cccc(N(c2cc(C)c(-c3ccccc3)cc2C)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)c1
InChIInChI=1S/C51H38N2O/c1-33-16-15-19-37(30-33)52(48-32-34(2)43(31-35(48)3)36-17-5-4-6-18-36)47-29-28-41(51-50(47)42-23-10-14-27-49(42)54-51)40-22-9-13-26-46(40)53-44-24-11-7-20-38(44)39-21-8-12-25-45(39)53/h4-32H,1-3H3
InChIKeyOSXSWXJFXOBFLV-UHFFFAOYSA-N
XLogP14.41
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608368
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609431
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(2-carbazol-9-ylphenyl)-N-(3-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
CID 176609769
4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608759
4-(2-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609204
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
CID 176609116

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine (CID 176608419) is 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine is Cc1cccc(N(c2cc(C)c(-c3ccccc3)cc2C)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine?
The InChIKey is OSXSWXJFXOBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2O/c1-33-16-15-19-37(30-33)52(48-32-34(2)43(31-35(48)3)36-17-5-4-6-18-36)47-29-28-41(51-50(47)42-23-10-14-27-49(42)54-51)40-22-9-13-26-46(40)53-44-24-11-7-20-38(44)39-21-8-12-25-45(39)53/h4-32H,1-3H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine has a molecular weight of 694.88 g/mol, XLogP of 14.41, 6 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-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176608419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).