4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one

C32H21NO2 — CID 135018050

IUPAC4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one
SMILESO=C1Nc2c(ccc3ccccc23)C12C=C(c1ccccc1)c1cc(-c3ccccc3)ccc1O2
InChIInChI=1S/C32H21NO2/c34-31-32(28-17-15-23-13-7-8-14-25(23)30(28)33-31)20-27(22-11-5-2-6-12-22)26-19-24(16-18-29(26)35-32)21-9-3-1-4-10-21/h1-20H,(H,33,34)
InChIKeyGXGIBHMMFBIDMQ-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.18
Rot. Bonds2

About 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one

4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one (PubChem CID 135018050) has the molecular formula C32H21NO2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one.

Molecular Properties

Compound Name4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one
PubChem CID135018050
Molecular FormulaC32H21NO2
Molecular Weight451.53 g/mol
Exact Mass451.16
IUPAC Name4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one
SMILESO=C1Nc2c(ccc3ccccc23)C12C=C(c1ccccc1)c1cc(-c3ccccc3)ccc1O2
InChIInChI=1S/C32H21NO2/c34-31-32(28-17-15-23-13-7-8-14-25(23)30(28)33-31)20-27(22-11-5-2-6-12-22)26-19-24(16-18-29(26)35-32)21-9-3-1-4-10-21/h1-20H,(H,33,34)
InChIKeyGXGIBHMMFBIDMQ-UHFFFAOYSA-N
XLogP7.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
The IUPAC name of 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one (CID 135018050) is 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one.
What is the SMILES notation for 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
The canonical SMILES for 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one is O=C1Nc2c(ccc3ccccc23)C12C=C(c1ccccc1)c1cc(-c3ccccc3)ccc1O2.
What is the InChIKey of 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
The InChIKey is GXGIBHMMFBIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO2/c34-31-32(28-17-15-23-13-7-8-14-25(23)30(28)33-31)20-27(22-11-5-2-6-12-22)26-19-24(16-18-29(26)35-32)21-9-3-1-4-10-21/h1-20H,(H,33,34).
What are the key properties of 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one has a molecular weight of 451.53 g/mol, XLogP of 7.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4',6'-diphenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one is sourced from PubChem (CID 135018050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).