(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone

C27H24FNO2 — CID 167695967

IUPAC(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
SMILESCc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(=O)c4ccc(F)cc4)ccc3O1)N2C
InChIInChI=1S/C27H24FNO2/c1-17-5-11-23-22(15-17)26(2,3)27(29(23)4)14-13-19-16-20(8-12-24(19)31-27)25(30)18-6-9-21(28)10-7-18/h5-16H,1-4H3
InChIKeyXQUBCVVDNZWQBS-UHFFFAOYSA-N
MW413.49 g/mol
LogP5.89
Rot. Bonds2

About (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone

(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone (PubChem CID 167695967) has the molecular formula C27H24FNO2 and a molecular weight of 413.49 g/mol. Its IUPAC name is (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
PubChem CID167695967
Molecular FormulaC27H24FNO2
Molecular Weight413.49 g/mol
Exact Mass413.18
IUPAC Name(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
SMILESCc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(=O)c4ccc(F)cc4)ccc3O1)N2C
InChIInChI=1S/C27H24FNO2/c1-17-5-11-23-22(15-17)26(2,3)27(29(23)4)14-13-19-16-20(8-12-24(19)31-27)25(30)18-6-9-21(28)10-7-18/h5-16H,1-4H3
InChIKeyXQUBCVVDNZWQBS-UHFFFAOYSA-N
XLogP5.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone (CID 167695967) is (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone is Cc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(=O)c4ccc(F)cc4)ccc3O1)N2C.
What is the InChIKey of (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?
The InChIKey is XQUBCVVDNZWQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO2/c1-17-5-11-23-22(15-17)26(2,3)27(29(23)4)14-13-19-16-20(8-12-24(19)31-27)25(30)18-6-9-21(28)10-7-18/h5-16H,1-4H3.
What are the key properties of (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?
(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone has a molecular weight of 413.49 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone is sourced from PubChem (CID 167695967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).