4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole

C29H29FN2 — CID 70493013

IUPAC4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole
SMILESCCc1cccc2[nH]c(C)c(C(c3ccc(F)cc3)c3c(C)[nH]c4cccc(CC)c34)c12
InChIInChI=1S/C29H29FN2/c1-5-19-9-7-11-23-27(19)25(17(3)31-23)29(21-13-15-22(30)16-14-21)26-18(4)32-24-12-8-10-20(6-2)28(24)26/h7-16,29,31-32H,5-6H2,1-4H3
InChIKeyIVKSUUSQVAPYDZ-UHFFFAOYSA-N
MW424.56 g/mol
LogP7.71
Rot. Bonds5

About 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole

4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole (PubChem CID 70493013) has the molecular formula C29H29FN2 and a molecular weight of 424.56 g/mol. Its IUPAC name is 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole
PubChem CID70493013
Molecular FormulaC29H29FN2
Molecular Weight424.56 g/mol
Exact Mass424.23
IUPAC Name4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole
SMILESCCc1cccc2[nH]c(C)c(C(c3ccc(F)cc3)c3c(C)[nH]c4cccc(CC)c34)c12
InChIInChI=1S/C29H29FN2/c1-5-19-9-7-11-23-27(19)25(17(3)31-23)29(21-13-15-22(30)16-14-21)26-18(4)32-24-12-8-10-20(6-2)28(24)26/h7-16,29,31-32H,5-6H2,1-4H3
InChIKeyIVKSUUSQVAPYDZ-UHFFFAOYSA-N
XLogP7.71
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole?
The IUPAC name of 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole (CID 70493013) is 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole is CCc1cccc2[nH]c(C)c(C(c3ccc(F)cc3)c3c(C)[nH]c4cccc(CC)c34)c12.
What is the InChIKey of 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole?
The InChIKey is IVKSUUSQVAPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2/c1-5-19-9-7-11-23-27(19)25(17(3)31-23)29(21-13-15-22(30)16-14-21)26-18(4)32-24-12-8-10-20(6-2)28(24)26/h7-16,29,31-32H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole?
4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole has a molecular weight of 424.56 g/mol, XLogP of 7.71, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(4-ethyl-2-methyl-1H-indol-3-yl)-(4-fluorophenyl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 70493013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).