1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

C23H21NO — CID 2728827

IUPAC1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C23H21NO/c1-22(2)19-10-6-7-11-20(19)24(3)23(22)15-14-18-17-9-5-4-8-16(17)12-13-21(18)25-23/h4-15H,1-3H3
InChIKeyDTQKEQFXLWFVCS-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.37
Rot. Bonds

About 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (PubChem CID 2728827) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].

Molecular Properties

Compound Name1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
PubChem CID2728827
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C23H21NO/c1-22(2)19-10-6-7-11-20(19)24(3)23(22)15-14-18-17-9-5-4-8-16(17)12-13-21(18)25-23/h4-15H,1-3H3
InChIKeyDTQKEQFXLWFVCS-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The IUPAC name of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (CID 2728827) is 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].
What is the SMILES notation for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The canonical SMILES for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The InChIKey is DTQKEQFXLWFVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-22(2)19-10-6-7-11-20(19)24(3)23(22)15-14-18-17-9-5-4-8-16(17)12-13-21(18)25-23/h4-15H,1-3H3.
What are the key properties of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] has a molecular weight of 327.43 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is sourced from PubChem (CID 2728827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).