9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole

C42H27NO — CID 118488369

IUPAC9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NO/c1-3-10-28(11-4-1)30-14-9-15-31(24-30)33-19-22-40-37(26-33)36-25-32(29-12-5-2-6-13-29)18-21-39(36)43(40)34-20-23-42-38(27-34)35-16-7-8-17-41(35)44-42/h1-27H
InChIKeyDKLVPAKAAFLFOP-UHFFFAOYSA-N
MW561.68 g/mol
LogP11.68
Rot. Bonds4

About 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole

9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole (PubChem CID 118488369) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
PubChem CID118488369
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NO/c1-3-10-28(11-4-1)30-14-9-15-31(24-30)33-19-22-40-37(26-33)36-25-32(29-12-5-2-6-13-29)18-21-39(36)43(40)34-20-23-42-38(27-34)35-16-7-8-17-41(35)44-42/h1-27H
InChIKeyDKLVPAKAAFLFOP-UHFFFAOYSA-N
XLogP11.68
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole (CID 118488369) is 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole?
The InChIKey is DKLVPAKAAFLFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-10-28(11-4-1)30-14-9-15-31(24-30)33-19-22-40-37(26-33)36-25-32(29-12-5-2-6-13-29)18-21-39(36)43(40)34-20-23-42-38(27-34)35-16-7-8-17-41(35)44-42/h1-27H.
What are the key properties of 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole?
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole has a molecular weight of 561.68 g/mol, XLogP of 11.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole is sourced from PubChem (CID 118488369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).