2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone

C27H25NO2 — CID 170091928

IUPAC2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)Cc3ccccc3)ccc1O2
InChIInChI=1S/C27H25NO2/c1-26(2)22-11-7-8-12-23(22)28(3)27(26)16-15-21-18-20(13-14-25(21)30-27)24(29)17-19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3
InChIKeyUKTMCXUIHQILBR-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.64
Rot. Bonds3

About 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone

2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone (PubChem CID 170091928) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
PubChem CID170091928
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)Cc3ccccc3)ccc1O2
InChIInChI=1S/C27H25NO2/c1-26(2)22-11-7-8-12-23(22)28(3)27(26)16-15-21-18-20(13-14-25(21)30-27)24(29)17-19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3
InChIKeyUKTMCXUIHQILBR-UHFFFAOYSA-N
XLogP5.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone?
The IUPAC name of 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone (CID 170091928) is 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone is CN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)Cc3ccccc3)ccc1O2.
What is the InChIKey of 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone?
The InChIKey is UKTMCXUIHQILBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-26(2)22-11-7-8-12-23(22)28(3)27(26)16-15-21-18-20(13-14-25(21)30-27)24(29)17-19-9-5-4-6-10-19/h4-16,18H,17H2,1-3H3.
What are the key properties of 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone?
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone has a molecular weight of 395.50 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone is sourced from PubChem (CID 170091928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).