4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine

C51H38N2O — CID 176609461

IUPAC4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
SMILESCc1ccc(N(c2c(C)cc(-c3ccccc3)cc2C)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)cc1
InChIInChI=1S/C51H38N2O/c1-33-25-27-38(28-26-33)52(50-34(2)31-37(32-35(50)3)36-15-5-4-6-16-36)47-30-29-42(51-49(47)43-20-10-14-24-48(43)54-51)41-19-9-13-23-46(41)53-44-21-11-7-17-39(44)40-18-8-12-22-45(40)53/h4-32H,1-3H3
InChIKeyDFPVZGARXOQLJB-UHFFFAOYSA-N
MW694.88 g/mol
LogP14.41
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine (PubChem CID 176609461) has the molecular formula C51H38N2O and a molecular weight of 694.88 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
PubChem CID176609461
Molecular FormulaC51H38N2O
Molecular Weight694.88 g/mol
Exact Mass694.30
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
SMILESCc1ccc(N(c2c(C)cc(-c3ccccc3)cc2C)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)cc1
InChIInChI=1S/C51H38N2O/c1-33-25-27-38(28-26-33)52(50-34(2)31-37(32-35(50)3)36-15-5-4-6-16-36)47-30-29-42(51-49(47)43-20-10-14-24-48(43)54-51)41-19-9-13-23-46(41)53-44-21-11-7-17-39(44)40-18-8-12-22-45(40)53/h4-32H,1-3H3
InChIKeyDFPVZGARXOQLJB-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

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Related Compounds

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-(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-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
CID 176609769
4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608419
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608337
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-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
4-(2-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609204

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine (CID 176609461) is 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine is Cc1ccc(N(c2c(C)cc(-c3ccccc3)cc2C)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine?
The InChIKey is DFPVZGARXOQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2O/c1-33-25-27-38(28-26-33)52(50-34(2)31-37(32-35(50)3)36-15-5-4-6-16-36)47-30-29-42(51-49(47)43-20-10-14-24-48(43)54-51)41-19-9-13-23-46(41)53-44-21-11-7-17-39(44)40-18-8-12-22-45(40)53/h4-32H,1-3H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-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-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).