2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

C50H32S5 — CID 139982077

IUPAC2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10cccs%10)s9)s8)s7)s6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H32S5/c1-2-5-33(6-3-1)34-8-10-35(11-9-34)36-12-14-37(15-13-36)38-16-18-39(19-17-38)40-20-22-41(23-21-40)42-24-25-45(52-42)46-28-29-49(54-46)50-31-30-48(55-50)47-27-26-44(53-47)43-7-4-32-51-43/h1-32H
InChIKeyZXLFBISUYCNZQL-UHFFFAOYSA-N
MW793.14 g/mol
LogP17.00
Rot. Bonds9

About 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 139982077) has the molecular formula C50H32S5 and a molecular weight of 793.14 g/mol. Its IUPAC name is 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID139982077
Molecular FormulaC50H32S5
Molecular Weight793.14 g/mol
Exact Mass792.11
IUPAC Name2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10cccs%10)s9)s8)s7)s6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H32S5/c1-2-5-33(6-3-1)34-8-10-35(11-9-34)36-12-14-37(15-13-36)38-16-18-39(19-17-38)40-20-22-41(23-21-40)42-24-25-45(52-42)46-28-29-49(54-46)50-31-30-48(55-50)47-27-26-44(53-47)43-7-4-32-51-43/h1-32H
InChIKeyZXLFBISUYCNZQL-UHFFFAOYSA-N
XLogP17.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.14
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 139982077) is 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10cccs%10)s9)s8)s7)s6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is ZXLFBISUYCNZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32S5/c1-2-5-33(6-3-1)34-8-10-35(11-9-34)36-12-14-37(15-13-36)38-16-18-39(19-17-38)40-20-22-41(23-21-40)42-24-25-45(52-42)46-28-29-49(54-46)50-31-30-48(55-50)47-27-26-44(53-47)43-7-4-32-51-43/h1-32H.
What are the key properties of 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 793.14 g/mol, XLogP of 17.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 139982077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).