3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one

C24H16N2O2 — CID 2490445

IUPAC3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one
SMILESO=C1N=c2ccccc2=C1C=c1ccc(=Cc2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H16N2O2/c27-23-19(17-5-1-3-7-21(17)25-23)13-15-9-11-16(12-10-15)14-20-18-6-2-4-8-22(18)26-24(20)28/h1-14,25,27H/b15-13-,16-14+
InChIKeyOCIKFUCFYQLEPS-VCFJNTAESA-N
MW364.40 g/mol
LogP1.49
Rot. Bonds2

About 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one

3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one (PubChem CID 2490445) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one.

Molecular Properties

Compound Name3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one
PubChem CID2490445
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one
SMILESO=C1N=c2ccccc2=C1C=c1ccc(=Cc2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H16N2O2/c27-23-19(17-5-1-3-7-21(17)25-23)13-15-9-11-16(12-10-15)14-20-18-6-2-4-8-22(18)26-24(20)28/h1-14,25,27H/b15-13-,16-14+
InChIKeyOCIKFUCFYQLEPS-VCFJNTAESA-N
XLogP1.49
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one?
The IUPAC name of 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one (CID 2490445) is 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one.
What is the SMILES notation for 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one?
The canonical SMILES for 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one is O=C1N=c2ccccc2=C1C=c1ccc(=Cc2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one?
The InChIKey is OCIKFUCFYQLEPS-VCFJNTAESA-N. The full InChI is InChI=1S/C24H16N2O2/c27-23-19(17-5-1-3-7-21(17)25-23)13-15-9-11-16(12-10-15)14-20-18-6-2-4-8-22(18)26-24(20)28/h1-14,25,27H/b15-13-,16-14+.
What are the key properties of 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one?
3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one has a molecular weight of 364.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-hydroxy-1H-indol-3-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]indol-2-one is sourced from PubChem (CID 2490445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).