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

C30H25NO2 — CID 135018207

IUPAC6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)=CC1(O2)C(=O)Nc2c1ccc1ccccc21
InChIInChI=1S/C30H25NO2/c1-29(2,3)21-14-16-26-23(17-21)24(19-9-5-4-6-10-19)18-30(33-26)25-15-13-20-11-7-8-12-22(20)27(25)31-28(30)32/h4-18H,1-3H3,(H,31,32)
InChIKeyFQVUBRQLIPPWAD-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.81
Rot. Bonds1

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

6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one (PubChem CID 135018207) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one.

Molecular Properties

Compound Name6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one
PubChem CID135018207
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)=CC1(O2)C(=O)Nc2c1ccc1ccccc21
InChIInChI=1S/C30H25NO2/c1-29(2,3)21-14-16-26-23(17-21)24(19-9-5-4-6-10-19)18-30(33-26)25-15-13-20-11-7-8-12-22(20)27(25)31-28(30)32/h4-18H,1-3H3,(H,31,32)
InChIKeyFQVUBRQLIPPWAD-UHFFFAOYSA-N
XLogP6.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
The IUPAC name of 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one (CID 135018207) is 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one.
What is the SMILES notation for 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
The canonical SMILES for 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one is CC(C)(C)c1ccc2c(c1)C(c1ccccc1)=CC1(O2)C(=O)Nc2c1ccc1ccccc21.
What is the InChIKey of 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
The InChIKey is FQVUBRQLIPPWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO2/c1-29(2,3)21-14-16-26-23(17-21)24(19-9-5-4-6-10-19)18-30(33-26)25-15-13-20-11-7-8-12-22(20)27(25)31-28(30)32/h4-18H,1-3H3,(H,31,32).
What are the key properties of 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one?
6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one has a molecular weight of 431.54 g/mol, XLogP of 6.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-tert-butyl-4'-phenylspiro[1H-benzo[g]indole-3,2'-chromene]-2-one is sourced from PubChem (CID 135018207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).