1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]

C24H20N2O — CID 174899789

IUPAC1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]
SMILESC1=CC2(Cc3ccccc3N2)Oc2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13NO.C8H7N/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16;1-2-4-8-7(3-1)5-6-9-8/h1-10,17H,11H2;1-6,9H
InChIKeyKMRNDJAESYBSSX-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.62
Rot. Bonds

About 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]

1H-indole;spiro[1,3-dihydroindole-2,2'-chromene] (PubChem CID 174899789) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene].

Molecular Properties

Compound Name1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]
PubChem CID174899789
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]
SMILESC1=CC2(Cc3ccccc3N2)Oc2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13NO.C8H7N/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16;1-2-4-8-7(3-1)5-6-9-8/h1-10,17H,11H2;1-6,9H
InChIKeyKMRNDJAESYBSSX-UHFFFAOYSA-N
XLogP5.62
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]?
The IUPAC name of 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene] (CID 174899789) is 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene].
What is the SMILES notation for 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]?
The canonical SMILES for 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene] is C1=CC2(Cc3ccccc3N2)Oc2ccccc21.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]?
The InChIKey is KMRNDJAESYBSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO.C8H7N/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16;1-2-4-8-7(3-1)5-6-9-8/h1-10,17H,11H2;1-6,9H.
What are the key properties of 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene]?
1H-indole;spiro[1,3-dihydroindole-2,2'-chromene] has a molecular weight of 352.44 g/mol, XLogP of 5.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;spiro[1,3-dihydroindole-2,2'-chromene] is sourced from PubChem (CID 174899789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).