(3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone

C31H24FNO2 — CID 165164666

IUPAC(3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone
SMILESCC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C31H24FNO2/c1-30(2)26-10-6-7-11-27(26)33(25-8-4-3-5-9-25)31(30)19-18-22-20-23(14-17-28(22)35-31)29(34)21-12-15-24(32)16-13-21/h3-20H,1-2H3
InChIKeyXCHCBIZUIOHGTQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP7.29
Rot. Bonds3

About (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone

(3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone (PubChem CID 165164666) has the molecular formula C31H24FNO2 and a molecular weight of 461.54 g/mol. Its IUPAC name is (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone
PubChem CID165164666
Molecular FormulaC31H24FNO2
Molecular Weight461.54 g/mol
Exact Mass461.18
IUPAC Name(3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone
SMILESCC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2
InChIInChI=1S/C31H24FNO2/c1-30(2)26-10-6-7-11-27(26)33(25-8-4-3-5-9-25)31(30)19-18-22-20-23(14-17-28(22)35-31)29(34)21-12-15-24(32)16-13-21/h3-20H,1-2H3
InChIKeyXCHCBIZUIOHGTQ-UHFFFAOYSA-N
XLogP7.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone (CID 165164666) is (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone is CC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2.
What is the InChIKey of (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone?
The InChIKey is XCHCBIZUIOHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FNO2/c1-30(2)26-10-6-7-11-27(26)33(25-8-4-3-5-9-25)31(30)19-18-22-20-23(14-17-28(22)35-31)29(34)21-12-15-24(32)16-13-21/h3-20H,1-2H3.
What are the key properties of (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone?
(3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone has a molecular weight of 461.54 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]-6-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 165164666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).