2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene

C33H28S2 — CID 142828623

IUPAC2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene
SMILESC=c1cccc/c1=C/C=C\C/C(C)=C1\C=C(c2ccc(-c3ccc(-c4ccccc4)s3)s2)C=CC1
InChIInChI=1S/C33H28S2/c1-24-11-6-8-13-26(24)14-9-7-12-25(2)28-17-10-18-29(23-28)31-20-22-33(35-31)32-21-19-30(34-32)27-15-4-3-5-16-27/h3-11,13-16,18-23H,1,12,17H2,2H3/b9-7-,26-14-,28-25-
InChIKeyIYKBWXKETWQMOL-OOJRCMSQSA-N
MW488.72 g/mol
LogP8.64
Rot. Bonds6

About 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene

2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene (PubChem CID 142828623) has the molecular formula C33H28S2 and a molecular weight of 488.72 g/mol. Its IUPAC name is 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene
PubChem CID142828623
Molecular FormulaC33H28S2
Molecular Weight488.72 g/mol
Exact Mass488.16
IUPAC Name2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene
SMILESC=c1cccc/c1=C/C=C\C/C(C)=C1\C=C(c2ccc(-c3ccc(-c4ccccc4)s3)s2)C=CC1
InChIInChI=1S/C33H28S2/c1-24-11-6-8-13-26(24)14-9-7-12-25(2)28-17-10-18-29(23-28)31-20-22-33(35-31)32-21-19-30(34-32)27-15-4-3-5-16-27/h3-11,13-16,18-23H,1,12,17H2,2H3/b9-7-,26-14-,28-25-
InChIKeyIYKBWXKETWQMOL-OOJRCMSQSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene with MolForge

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Related Compounds

N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline
CID 144874400
(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
CID 89200532
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
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2-[(E)-but-1-enyl]-5-phenylthiophene
CID 70854669
2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
(E,3E)-2-[4-[5-[4-(1-benzothiophen-2-yl)cyclohexa-1,5-dien-1-yl]thiophen-2-yl]phenyl]-3-cyclohexa-2,4-dien-1-ylideneprop-1-en-1-amine
CID 143851052
2-(4-methylcyclohexa-1,5-dien-1-yl)-5-[4-[5-(4-methylphenyl)thiophen-2-yl]phenyl]thiophene
CID 142352355
6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
CID 123474573
2-cyclohex-4-en-2-yn-1-yl-5-[4-[(3R)-3-phenanthren-9-yl-4-[4-(5-phenylthiophen-2-yl)phenyl]butan-2-yl]cyclohexa-1,5-dien-1-yl]thiophene
CID 145380834
2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 86000641
2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
CID 139982056
1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
CID 102473044

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene?
The IUPAC name of 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene (CID 142828623) is 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene?
The canonical SMILES for 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene is C=c1cccc/c1=C/C=C\C/C(C)=C1\C=C(c2ccc(-c3ccc(-c4ccccc4)s3)s2)C=CC1.
What is the InChIKey of 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene?
The InChIKey is IYKBWXKETWQMOL-OOJRCMSQSA-N. The full InChI is InChI=1S/C33H28S2/c1-24-11-6-8-13-26(24)14-9-7-12-25(2)28-17-10-18-29(23-28)31-20-22-33(35-31)32-21-19-30(34-32)27-15-4-3-5-16-27/h3-11,13-16,18-23H,1,12,17H2,2H3/b9-7-,26-14-,28-25-.
What are the key properties of 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene?
2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene has a molecular weight of 488.72 g/mol, XLogP of 8.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-[(Z,6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-4-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-5-(5-phenylthiophen-2-yl)thiophene is sourced from PubChem (CID 142828623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).