6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole

C37H25NO — CID 134223584

IUPAC6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole
SMILESCc1cccc2c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C37H25NO/c1-24-9-7-15-31-32-22-27(17-19-34(32)38(37(24)31)29-12-3-2-4-13-29)25-10-8-11-26(21-25)28-18-20-36-33(23-28)30-14-5-6-16-35(30)39-36/h2-23H,1H3
InChIKeyMLVQDCBZGORPLJ-UHFFFAOYSA-N
MW499.61 g/mol
LogP10.33
Rot. Bonds3

About 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole

6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole (PubChem CID 134223584) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole
PubChem CID134223584
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole
SMILESCc1cccc2c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C37H25NO/c1-24-9-7-15-31-32-22-27(17-19-34(32)38(37(24)31)29-12-3-2-4-13-29)25-10-8-11-26(21-25)28-18-20-36-33(23-28)30-14-5-6-16-35(30)39-36/h2-23H,1H3
InChIKeyMLVQDCBZGORPLJ-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 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole?
The IUPAC name of 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole (CID 134223584) is 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole.
What is the SMILES notation for 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole?
The canonical SMILES for 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole is Cc1cccc2c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc3n(-c3ccccc3)c12.
What is the InChIKey of 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole?
The InChIKey is MLVQDCBZGORPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-24-9-7-15-31-32-22-27(17-19-34(32)38(37(24)31)29-12-3-2-4-13-29)25-10-8-11-26(21-25)28-18-20-36-33(23-28)30-14-5-6-16-35(30)39-36/h2-23H,1H3.
What are the key properties of 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole?
6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole 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 6-(3-dibenzofuran-2-ylphenyl)-1-methyl-9-phenylcarbazole is sourced from PubChem (CID 134223584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).