9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole

C37H25NO — CID 163676017

IUPAC9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)c12
InChIInChI=1S/C37H25NO/c1-24-7-6-10-33-30-8-2-4-11-34(30)38(37(24)33)29-20-17-26(18-21-29)25-13-15-27(16-14-25)28-19-22-32-31-9-3-5-12-35(31)39-36(32)23-28/h2-23H,1H3
InChIKeyWCPXULSFSNHOEZ-UHFFFAOYSA-N
MW499.61 g/mol
LogP10.33
Rot. Bonds3

About 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole

9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole (PubChem CID 163676017) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole
PubChem CID163676017
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)c12
InChIInChI=1S/C37H25NO/c1-24-7-6-10-33-30-8-2-4-11-34(30)38(37(24)33)29-20-17-26(18-21-29)25-13-15-27(16-14-25)28-19-22-32-31-9-3-5-12-35(31)39-36(32)23-28/h2-23H,1H3
InChIKeyWCPXULSFSNHOEZ-UHFFFAOYSA-N
XLogP10.33
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 510.33
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]-1-methylcarbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole (CID 163676017) is 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole is Cc1cccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)c12.
What is the InChIKey of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole?
The InChIKey is WCPXULSFSNHOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-24-7-6-10-33-30-8-2-4-11-34(30)38(37(24)33)29-20-17-26(18-21-29)25-13-15-27(16-14-25)28-19-22-32-31-9-3-5-12-35(31)39-36(32)23-28/h2-23H,1H3.
What are the key properties of 9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole?
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole has a molecular weight of 499.61 g/mol, XLogP of 10.33, 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]-1-methylcarbazole is sourced from PubChem (CID 163676017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).