4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one

C32H36O2S2 — CID 177385096

IUPAC4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
SMILESCC(C)C1=CC(=c2cc/c(=c3\ccc(=C4C=C(C(C)C)C(=O)C(C(C)C)=C4)s3)s2)C=C(C(C)C)C1=O
InChIInChI=1S/C32H36O2S2/c1-17(2)23-13-21(14-24(18(3)4)31(23)33)27-9-11-29(35-27)30-12-10-28(36-30)22-15-25(19(5)6)32(34)26(16-22)20(7)8/h9-20H,1-8H3/b30-29-
InChIKeyWHLNVRSQJTXEFO-FLWNBWAVSA-N
MW516.77 g/mol
LogP6.89
Rot. Bonds4

About 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one

4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one (PubChem CID 177385096) has the molecular formula C32H36O2S2 and a molecular weight of 516.77 g/mol. Its IUPAC name is 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
PubChem CID177385096
Molecular FormulaC32H36O2S2
Molecular Weight516.77 g/mol
Exact Mass516.22
IUPAC Name4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
SMILESCC(C)C1=CC(=c2cc/c(=c3\ccc(=C4C=C(C(C)C)C(=O)C(C(C)C)=C4)s3)s2)C=C(C(C)C)C1=O
InChIInChI=1S/C32H36O2S2/c1-17(2)23-13-21(14-24(18(3)4)31(23)33)27-9-11-29(35-27)30-12-10-28(36-30)22-15-25(19(5)6)32(34)26(16-22)20(7)8/h9-20H,1-8H3/b30-29-
InChIKeyWHLNVRSQJTXEFO-FLWNBWAVSA-N
XLogP6.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.77
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one (CID 177385096) is 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one is CC(C)C1=CC(=c2cc/c(=c3\ccc(=C4C=C(C(C)C)C(=O)C(C(C)C)=C4)s3)s2)C=C(C(C)C)C1=O.
What is the InChIKey of 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one?
The InChIKey is WHLNVRSQJTXEFO-FLWNBWAVSA-N. The full InChI is InChI=1S/C32H36O2S2/c1-17(2)23-13-21(14-24(18(3)4)31(23)33)27-9-11-29(35-27)30-12-10-28(36-30)22-15-25(19(5)6)32(34)26(16-22)20(7)8/h9-20H,1-8H3/b30-29-.
What are the key properties of 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one?
4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one has a molecular weight of 516.77 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-5-[5-[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]thiophen-2-ylidene]thiophen-2-ylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 177385096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).