(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone

C26H19NO2 — CID 155167929

IUPAC(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone
SMILESCn1c2ccccc2c2c(O)c(C(=O)c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C26H19NO2/c1-27-21-15-9-8-14-19(21)23-22(27)16-20(17-10-4-2-5-11-17)24(26(23)29)25(28)18-12-6-3-7-13-18/h2-16,29H,1H3
InChIKeyJOXLZEHUICJZGQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.94
Rot. Bonds3

About (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone

(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone (PubChem CID 155167929) has the molecular formula C26H19NO2 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone
PubChem CID155167929
Molecular FormulaC26H19NO2
Molecular Weight377.44 g/mol
Exact Mass377.14
IUPAC Name(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone
SMILESCn1c2ccccc2c2c(O)c(C(=O)c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C26H19NO2/c1-27-21-15-9-8-14-19(21)23-22(27)16-20(17-10-4-2-5-11-17)24(26(23)29)25(28)18-12-6-3-7-13-18/h2-16,29H,1H3
InChIKeyJOXLZEHUICJZGQ-UHFFFAOYSA-N
XLogP5.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone?
The IUPAC name of (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone (CID 155167929) is (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone?
The canonical SMILES for (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone is Cn1c2ccccc2c2c(O)c(C(=O)c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone?
The InChIKey is JOXLZEHUICJZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2/c1-27-21-15-9-8-14-19(21)23-22(27)16-20(17-10-4-2-5-11-17)24(26(23)29)25(28)18-12-6-3-7-13-18/h2-16,29H,1H3.
What are the key properties of (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone?
(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone has a molecular weight of 377.44 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 155167929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).