1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole

C31H25FN2O — CID 56851799

IUPAC1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(F)c6)c5c4)cc32)cc1
InChIInChI=1S/C31H25FN2O/c1-35-29-11-5-22(6-12-29)20-33-15-13-24-7-9-26(18-30(24)33)27-10-8-25-14-16-34(31(25)19-27)21-23-3-2-4-28(32)17-23/h2-19H,20-21H2,1H3
InChIKeyZTOGQNAFZPMRKW-UHFFFAOYSA-N
MW460.55 g/mol
LogP7.51
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole

1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole (PubChem CID 56851799) has the molecular formula C31H25FN2O and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
PubChem CID56851799
Molecular FormulaC31H25FN2O
Molecular Weight460.55 g/mol
Exact Mass460.20
IUPAC Name1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(F)c6)c5c4)cc32)cc1
InChIInChI=1S/C31H25FN2O/c1-35-29-11-5-22(6-12-29)20-33-15-13-24-7-9-26(18-30(24)33)27-10-8-25-14-16-34(31(25)19-27)21-23-3-2-4-28(32)17-23/h2-19H,20-21H2,1H3
InChIKeyZTOGQNAFZPMRKW-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-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole (CID 56851799) is 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole is COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(F)c6)c5c4)cc32)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The InChIKey is ZTOGQNAFZPMRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN2O/c1-35-29-11-5-22(6-12-29)20-33-15-13-24-7-9-26(18-30(24)33)27-10-8-25-14-16-34(31(25)19-27)21-23-3-2-4-28(32)17-23/h2-19H,20-21H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
1-[(3-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-[(3-fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).