1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole

C31H25FN2O — CID 56851798

IUPAC1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6F)c5c4)cc32)cc1
InChIInChI=1S/C31H25FN2O/c1-35-28-12-6-22(7-13-28)20-33-16-14-23-8-10-25(18-30(23)33)26-11-9-24-15-17-34(31(24)19-26)21-27-4-2-3-5-29(27)32/h2-19H,20-21H2,1H3
InChIKeyYYOVSZIAFOFRAY-UHFFFAOYSA-N
MW460.55 g/mol
LogP7.51
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole

1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole (PubChem CID 56851798) has the molecular formula C31H25FN2O and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
PubChem CID56851798
Molecular FormulaC31H25FN2O
Molecular Weight460.55 g/mol
Exact Mass460.20
IUPAC Name1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6F)c5c4)cc32)cc1
InChIInChI=1S/C31H25FN2O/c1-35-28-12-6-22(7-13-28)20-33-16-14-23-8-10-25(18-30(23)33)26-11-9-24-15-17-34(31(24)19-26)21-27-4-2-3-5-29(27)32/h2-19H,20-21H2,1H3
InChIKeyYYOVSZIAFOFRAY-UHFFFAOYSA-N
XLogP7.51
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole (CID 56851798) is 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole is COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6F)c5c4)cc32)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The InChIKey is YYOVSZIAFOFRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN2O/c1-35-28-12-6-22(7-13-28)20-33-16-14-23-8-10-25(18-30(23)33)26-11-9-24-15-17-34(31(24)19-26)21-27-4-2-3-5-29(27)32/h2-19H,20-21H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole has a molecular weight of 460.55 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).