2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine

C63H39N3S3 — CID 134191374

IUPAC2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4cc5ccccc5s4)nc3)cc(-c3ccccc3-c3ccc(-c4cc5ccccc5s4)nc3)c2)c(-c2ccc(-c3cc4ccccc4s3)nc2)c1
InChIInChI=1S/C63H39N3S3/c1-10-22-58-40(13-1)34-61(67-58)55-28-25-43(37-64-55)49-16-4-7-19-52(49)46-31-47(53-20-8-5-17-50(53)44-26-29-56(65-38-44)62-35-41-14-2-11-23-59(41)68-62)33-48(32-46)54-21-9-6-18-51(54)45-27-30-57(66-39-45)63-36-42-15-3-12-24-60(42)69-63/h1-39H
InChIKeyIWWKHWQCHQHKNH-UHFFFAOYSA-N
MW934.23 g/mol
LogP18.52
Rot. Bonds9

About 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine

2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 134191374) has the molecular formula C63H39N3S3 and a molecular weight of 934.23 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
PubChem CID134191374
Molecular FormulaC63H39N3S3
Molecular Weight934.23 g/mol
Exact Mass933.23
IUPAC Name2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4cc5ccccc5s4)nc3)cc(-c3ccccc3-c3ccc(-c4cc5ccccc5s4)nc3)c2)c(-c2ccc(-c3cc4ccccc4s3)nc2)c1
InChIInChI=1S/C63H39N3S3/c1-10-22-58-40(13-1)34-61(67-58)55-28-25-43(37-64-55)49-16-4-7-19-52(49)46-31-47(53-20-8-5-17-50(53)44-26-29-56(65-38-44)62-35-41-14-2-11-23-59(41)68-62)33-48(32-46)54-21-9-6-18-51(54)45-27-30-57(66-39-45)63-36-42-15-3-12-24-60(42)69-63/h1-39H
InChIKeyIWWKHWQCHQHKNH-UHFFFAOYSA-N
XLogP18.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.23
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine (CID 134191374) is 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine is c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4cc5ccccc5s4)nc3)cc(-c3ccccc3-c3ccc(-c4cc5ccccc5s4)nc3)c2)c(-c2ccc(-c3cc4ccccc4s3)nc2)c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is IWWKHWQCHQHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3S3/c1-10-22-58-40(13-1)34-61(67-58)55-28-25-43(37-64-55)49-16-4-7-19-52(49)46-31-47(53-20-8-5-17-50(53)44-26-29-56(65-38-44)62-35-41-14-2-11-23-59(41)68-62)33-48(32-46)54-21-9-6-18-51(54)45-27-30-57(66-39-45)63-36-42-15-3-12-24-60(42)69-63/h1-39H.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine?
2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 934.23 g/mol, XLogP of 18.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134191374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).