2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene

C34H26S3 — CID 134863992

IUPAC2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene
SMILESCc1sc(-c2ccc3ccccc3c2)cc1C1=C(c2cc(-c3ccc4ccccc4c3)sc2C)CSC1
InChIInChI=1S/C34H26S3/c1-21-29(17-33(36-21)27-13-11-23-7-3-5-9-25(23)15-27)31-19-35-20-32(31)30-18-34(37-22(30)2)28-14-12-24-8-4-6-10-26(24)16-28/h3-18H,19-20H2,1-2H3
InChIKeyFYNHEUWIUMBUCO-UHFFFAOYSA-N
MW530.78 g/mol
LogP10.72
Rot. Bonds4

About 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene

2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene (PubChem CID 134863992) has the molecular formula C34H26S3 and a molecular weight of 530.78 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene
PubChem CID134863992
Molecular FormulaC34H26S3
Molecular Weight530.78 g/mol
Exact Mass530.12
IUPAC Name2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene
SMILESCc1sc(-c2ccc3ccccc3c2)cc1C1=C(c2cc(-c3ccc4ccccc4c3)sc2C)CSC1
InChIInChI=1S/C34H26S3/c1-21-29(17-33(36-21)27-13-11-23-7-3-5-9-25(23)15-27)31-19-35-20-32(31)30-18-34(37-22(30)2)28-14-12-24-8-4-6-10-26(24)16-28/h3-18H,19-20H2,1-2H3
InChIKeyFYNHEUWIUMBUCO-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.78
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene?
The IUPAC name of 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene (CID 134863992) is 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene.
What is the SMILES notation for 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene?
The canonical SMILES for 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene is Cc1sc(-c2ccc3ccccc3c2)cc1C1=C(c2cc(-c3ccc4ccccc4c3)sc2C)CSC1.
What is the InChIKey of 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene?
The InChIKey is FYNHEUWIUMBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26S3/c1-21-29(17-33(36-21)27-13-11-23-7-3-5-9-25(23)15-27)31-19-35-20-32(31)30-18-34(37-22(30)2)28-14-12-24-8-4-6-10-26(24)16-28/h3-18H,19-20H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene?
2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene has a molecular weight of 530.78 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methyl-5-naphthalen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-naphthalen-2-ylthiophene is sourced from PubChem (CID 134863992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).