2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene

C27H22S2 — CID 59420001

IUPAC2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)CC=C1
InChIInChI=1S/C27H22S2/c1-18-24(16-26(28-18)20-10-5-3-6-11-20)22-14-9-15-23(22)25-17-27(29-19(25)2)21-12-7-4-8-13-21/h3-14,16-17H,15H2,1-2H3
InChIKeyOGNUSXLSLSNXPH-UHFFFAOYSA-N
MW410.61 g/mol
LogP8.63
Rot. Bonds4

About 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene

2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene (PubChem CID 59420001) has the molecular formula C27H22S2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
PubChem CID59420001
Molecular FormulaC27H22S2
Molecular Weight410.61 g/mol
Exact Mass410.12
IUPAC Name2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)CC=C1
InChIInChI=1S/C27H22S2/c1-18-24(16-26(28-18)20-10-5-3-6-11-20)22-14-9-15-23(22)25-17-27(29-19(25)2)21-12-7-4-8-13-21/h3-14,16-17H,15H2,1-2H3
InChIKeyOGNUSXLSLSNXPH-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
2,3-bis(2-methyl-5-phenylthiophen-3-yl)naphthalene-1,4-dione
CID 101124465
4-[5-methyl-4-[2-[2-methyl-5-[4-(N-phenylanilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-N,N-diphenylaniline
CID 132501286
N,N-diethyl-4-[5-methyl-4-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline
CID 102252305
3-(2-tert-butylcyclopenten-1-yl)-2-methyl-1-benzothiophene;3-(2-tert-butylcyclopenten-1-yl)-2-methyl-5-phenylthiophene
CID 163732404
2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
CID 143334929
3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
2-phenylcyclopenta[b]thiophen-4-one
CID 175578441
2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene
CID 155884668
triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
CID 156711255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene?
The IUPAC name of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene (CID 59420001) is 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene.
What is the SMILES notation for 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene?
The canonical SMILES for 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene is Cc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)CC=C1.
What is the InChIKey of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene?
The InChIKey is OGNUSXLSLSNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22S2/c1-18-24(16-26(28-18)20-10-5-3-6-11-20)22-14-9-15-23(22)25-17-27(29-19(25)2)21-12-7-4-8-13-21/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene?
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene has a molecular weight of 410.61 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene is sourced from PubChem (CID 59420001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).