9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole

C38H27NO — CID 163676019

IUPAC9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C38H27NO/c1-24-7-19-35-33(21-24)34-22-25(2)8-20-36(34)39(35)30-16-13-27(14-17-30)26-9-11-28(12-10-26)29-15-18-32-31-5-3-4-6-37(31)40-38(32)23-29/h3-23H,1-2H3
InChIKeyDTAKXILRSYMZIN-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.63
Rot. Bonds3

About 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole

9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole (PubChem CID 163676019) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
PubChem CID163676019
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC Name9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C38H27NO/c1-24-7-19-35-33(21-24)34-22-25(2)8-20-36(34)39(35)30-16-13-27(14-17-30)26-9-11-28(12-10-26)29-15-18-32-31-5-3-4-6-37(31)40-38(32)23-29/h3-23H,1-2H3
InChIKeyDTAKXILRSYMZIN-UHFFFAOYSA-N
XLogP10.63
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole (CID 163676019) is 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is DTAKXILRSYMZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-24-7-19-35-33(21-24)34-22-25(2)8-20-36(34)39(35)30-16-13-27(14-17-30)26-9-11-28(12-10-26)29-15-18-32-31-5-3-4-6-37(31)40-38(32)23-29/h3-23H,1-2H3.
What are the key properties of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 513.64 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 163676019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).