5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole

C23H17F2N — CID 129133204

IUPAC5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2c(F)cccc2F)-c2ccccc2C1
InChIInChI=1S/C23H17F2N/c1-14-9-10-22-17(11-14)18-12-15-5-2-3-6-16(15)23(18)26(22)13-19-20(24)7-4-8-21(19)25/h2-11H,12-13H2,1H3
InChIKeyBYEIDZIJVQCSBM-UHFFFAOYSA-N
MW345.39 g/mol
LogP5.85
Rot. Bonds2

About 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole

5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole (PubChem CID 129133204) has the molecular formula C23H17F2N and a molecular weight of 345.39 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole
PubChem CID129133204
Molecular FormulaC23H17F2N
Molecular Weight345.39 g/mol
Exact Mass345.13
IUPAC Name5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2c(F)cccc2F)-c2ccccc2C1
InChIInChI=1S/C23H17F2N/c1-14-9-10-22-17(11-14)18-12-15-5-2-3-6-16(15)23(18)26(22)13-19-20(24)7-4-8-21(19)25/h2-11H,12-13H2,1H3
InChIKeyBYEIDZIJVQCSBM-UHFFFAOYSA-N
XLogP5.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.39
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole?
The IUPAC name of 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole (CID 129133204) is 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole?
The canonical SMILES for 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole is Cc1ccc2c(c1)c1c(n2Cc2c(F)cccc2F)-c2ccccc2C1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole?
The InChIKey is BYEIDZIJVQCSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N/c1-14-9-10-22-17(11-14)18-12-15-5-2-3-6-16(15)23(18)26(22)13-19-20(24)7-4-8-21(19)25/h2-11H,12-13H2,1H3.
What are the key properties of 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole?
5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole has a molecular weight of 345.39 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indole is sourced from PubChem (CID 129133204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).