7-methyl-3-(9H-xanthen-9-yl)-1H-indole

C22H17NO — CID 24797230

IUPAC7-methyl-3-(9H-xanthen-9-yl)-1H-indole
SMILESCc1cccc2c(C3c4ccccc4Oc4ccccc43)c[nH]c12
InChIInChI=1S/C22H17NO/c1-14-7-6-10-15-18(13-23-22(14)15)21-16-8-2-4-11-19(16)24-20-12-5-3-9-17(20)21/h2-13,21,23H,1H3
InChIKeyNCAFTFWUZIXIOC-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.76
Rot. Bonds1

About 7-methyl-3-(9H-xanthen-9-yl)-1H-indole

7-methyl-3-(9H-xanthen-9-yl)-1H-indole (PubChem CID 24797230) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 7-methyl-3-(9H-xanthen-9-yl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(9H-xanthen-9-yl)-1H-indole
PubChem CID24797230
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name7-methyl-3-(9H-xanthen-9-yl)-1H-indole
SMILESCc1cccc2c(C3c4ccccc4Oc4ccccc43)c[nH]c12
InChIInChI=1S/C22H17NO/c1-14-7-6-10-15-18(13-23-22(14)15)21-16-8-2-4-11-19(16)24-20-12-5-3-9-17(20)21/h2-13,21,23H,1H3
InChIKeyNCAFTFWUZIXIOC-UHFFFAOYSA-N
XLogP5.76
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(9H-xanthen-9-yl)-1H-indole?
The IUPAC name of 7-methyl-3-(9H-xanthen-9-yl)-1H-indole (CID 24797230) is 7-methyl-3-(9H-xanthen-9-yl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(9H-xanthen-9-yl)-1H-indole?
The canonical SMILES for 7-methyl-3-(9H-xanthen-9-yl)-1H-indole is Cc1cccc2c(C3c4ccccc4Oc4ccccc43)c[nH]c12.
What is the InChIKey of 7-methyl-3-(9H-xanthen-9-yl)-1H-indole?
The InChIKey is NCAFTFWUZIXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-14-7-6-10-15-18(13-23-22(14)15)21-16-8-2-4-11-19(16)24-20-12-5-3-9-17(20)21/h2-13,21,23H,1H3.
What are the key properties of 7-methyl-3-(9H-xanthen-9-yl)-1H-indole?
7-methyl-3-(9H-xanthen-9-yl)-1H-indole has a molecular weight of 311.38 g/mol, XLogP of 5.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(9H-xanthen-9-yl)-1H-indole is sourced from PubChem (CID 24797230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).