3-methoxy-1,9-diphenylcarbazole

C25H19NO — CID 121437675

IUPAC3-methoxy-1,9-diphenylcarbazole
SMILESCOc1cc(-c2ccccc2)c2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C25H19NO/c1-27-20-16-22(18-10-4-2-5-11-18)25-23(17-20)21-14-8-9-15-24(21)26(25)19-12-6-3-7-13-19/h2-17H,1H3
InChIKeyBDYZSJRWACUCOA-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.46
Rot. Bonds3

About 3-methoxy-1,9-diphenylcarbazole

3-methoxy-1,9-diphenylcarbazole (PubChem CID 121437675) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methoxy-1,9-diphenylcarbazole.

Molecular Properties

Compound Name3-methoxy-1,9-diphenylcarbazole
PubChem CID121437675
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name3-methoxy-1,9-diphenylcarbazole
SMILESCOc1cc(-c2ccccc2)c2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C25H19NO/c1-27-20-16-22(18-10-4-2-5-11-18)25-23(17-20)21-14-8-9-15-24(21)26(25)19-12-6-3-7-13-19/h2-17H,1H3
InChIKeyBDYZSJRWACUCOA-UHFFFAOYSA-N
XLogP6.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,9-diphenylcarbazole?
The IUPAC name of 3-methoxy-1,9-diphenylcarbazole (CID 121437675) is 3-methoxy-1,9-diphenylcarbazole.
What is the SMILES notation for 3-methoxy-1,9-diphenylcarbazole?
The canonical SMILES for 3-methoxy-1,9-diphenylcarbazole is COc1cc(-c2ccccc2)c2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-methoxy-1,9-diphenylcarbazole?
The InChIKey is BDYZSJRWACUCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-27-20-16-22(18-10-4-2-5-11-18)25-23(17-20)21-14-8-9-15-24(21)26(25)19-12-6-3-7-13-19/h2-17H,1H3.
What are the key properties of 3-methoxy-1,9-diphenylcarbazole?
3-methoxy-1,9-diphenylcarbazole has a molecular weight of 349.43 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,9-diphenylcarbazole is sourced from PubChem (CID 121437675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).