2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene

C38H34S2 — CID 139982035

IUPAC2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCC)s6)cc5)cc4)cc3)cc2)s1
InChIInChI=1S/C38H34S2/c1-3-5-35-23-25-37(39-35)33-19-15-31(16-20-33)29-11-7-27(8-12-29)28-9-13-30(14-10-28)32-17-21-34(22-18-32)38-26-24-36(40-38)6-4-2/h7-26H,3-6H2,1-2H3
InChIKeySIXYFZWBSZYEGS-UHFFFAOYSA-N
MW554.82 g/mol
LogP12.05
Rot. Bonds9

About 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene

2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene (PubChem CID 139982035) has the molecular formula C38H34S2 and a molecular weight of 554.82 g/mol. Its IUPAC name is 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene.

Molecular Properties

Compound Name2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
PubChem CID139982035
Molecular FormulaC38H34S2
Molecular Weight554.82 g/mol
Exact Mass554.21
IUPAC Name2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCC)s6)cc5)cc4)cc3)cc2)s1
InChIInChI=1S/C38H34S2/c1-3-5-35-23-25-37(39-35)33-19-15-31(16-20-33)29-11-7-27(8-12-29)28-9-13-30(14-10-28)32-17-21-34(22-18-32)38-26-24-36(40-38)6-4-2/h7-26H,3-6H2,1-2H3
InChIKeySIXYFZWBSZYEGS-UHFFFAOYSA-N
XLogP12.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.82
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene?
The IUPAC name of 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene (CID 139982035) is 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene.
What is the SMILES notation for 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene?
The canonical SMILES for 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene is CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCC)s6)cc5)cc4)cc3)cc2)s1.
What is the InChIKey of 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene?
The InChIKey is SIXYFZWBSZYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34S2/c1-3-5-35-23-25-37(39-35)33-19-15-31(16-20-33)29-11-7-27(8-12-29)28-9-13-30(14-10-28)32-17-21-34(22-18-32)38-26-24-36(40-38)6-4-2/h7-26H,3-6H2,1-2H3.
What are the key properties of 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene?
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene has a molecular weight of 554.82 g/mol, XLogP of 12.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene is sourced from PubChem (CID 139982035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).