2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole

C24H15NS — CID 166711506

IUPAC2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole
SMILESc1ccc2cc3[nH]c(-c4ccc5cc6ccsc6cc5c4)cc3cc2c1
InChIInChI=1S/C24H15NS/c1-2-4-16-12-23-21(10-15(16)3-1)13-22(25-23)18-6-5-17-9-19-7-8-26-24(19)14-20(17)11-18/h1-14,25H
InChIKeySUEZLEZXMNDYRR-UHFFFAOYSA-N
MW349.46 g/mol
LogP7.36
Rot. Bonds1

About 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole

2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole (PubChem CID 166711506) has the molecular formula C24H15NS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole.

Molecular Properties

Compound Name2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole
PubChem CID166711506
Molecular FormulaC24H15NS
Molecular Weight349.46 g/mol
Exact Mass349.09
IUPAC Name2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole
SMILESc1ccc2cc3[nH]c(-c4ccc5cc6ccsc6cc5c4)cc3cc2c1
InChIInChI=1S/C24H15NS/c1-2-4-16-12-23-21(10-15(16)3-1)13-22(25-23)18-6-5-17-9-19-7-8-26-24(19)14-20(17)11-18/h1-14,25H
InChIKeySUEZLEZXMNDYRR-UHFFFAOYSA-N
XLogP7.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole?
The IUPAC name of 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole (CID 166711506) is 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole.
What is the SMILES notation for 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole?
The canonical SMILES for 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole is c1ccc2cc3[nH]c(-c4ccc5cc6ccsc6cc5c4)cc3cc2c1.
What is the InChIKey of 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole?
The InChIKey is SUEZLEZXMNDYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NS/c1-2-4-16-12-23-21(10-15(16)3-1)13-22(25-23)18-6-5-17-9-19-7-8-26-24(19)14-20(17)11-18/h1-14,25H.
What are the key properties of 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole?
2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole has a molecular weight of 349.46 g/mol, XLogP of 7.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole is sourced from PubChem (CID 166711506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).