4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene

C30H25F3O2 — CID 53473732

IUPAC4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC)cc3)c3c2CCC3)cc1
InChIInChI=1S/C30H25F3O2/c1-34-23-14-8-19(9-15-23)27-18-28(20-6-12-22(13-7-20)30(31,32)33)29(26-5-3-4-25(26)27)21-10-16-24(35-2)17-11-21/h6-18H,3-5H2,1-2H3
InChIKeyDDGVYBUYQQKUHF-UHFFFAOYSA-N
MW474.52 g/mol
LogP8.21
Rot. Bonds5

About 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene

4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene (PubChem CID 53473732) has the molecular formula C30H25F3O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
PubChem CID53473732
Molecular FormulaC30H25F3O2
Molecular Weight474.52 g/mol
Exact Mass474.18
IUPAC Name4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC)cc3)c3c2CCC3)cc1
InChIInChI=1S/C30H25F3O2/c1-34-23-14-8-19(9-15-23)27-18-28(20-6-12-22(13-7-20)30(31,32)33)29(26-5-3-4-25(26)27)21-10-16-24(35-2)17-11-21/h6-18H,3-5H2,1-2H3
InChIKeyDDGVYBUYQQKUHF-UHFFFAOYSA-N
XLogP8.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene?
The IUPAC name of 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene (CID 53473732) is 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC)cc3)c3c2CCC3)cc1.
What is the InChIKey of 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene?
The InChIKey is DDGVYBUYQQKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3O2/c1-34-23-14-8-19(9-15-23)27-18-28(20-6-12-22(13-7-20)30(31,32)33)29(26-5-3-4-25(26)27)21-10-16-24(35-2)17-11-21/h6-18H,3-5H2,1-2H3.
What are the key properties of 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene?
4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene has a molecular weight of 474.52 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 53473732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).