2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline

C50H34N6S2 — CID 141006567

IUPAC2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline
SMILESc1ccc(N2C(c3ccc4ccccc4n3)C(c3ccccn3)=C(c3cc4ccccc4s3)N(c3cccs3)C2(c2cnccn2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N6S2/c1-2-18-37(19-3-1)55-48(42-27-26-35-15-5-8-22-40(35)54-42)47(41-23-10-11-28-52-41)49(44-32-36-16-6-9-24-43(36)58-44)56(46-25-13-31-57-46)50(55,45-33-51-29-30-53-45)39-21-12-17-34-14-4-7-20-38(34)39/h1-33,48H
InChIKeyMZMVJUQJJOFPOV-UHFFFAOYSA-N
MW783.00 g/mol
LogP12.39
Rot. Bonds7

About 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline

2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline (PubChem CID 141006567) has the molecular formula C50H34N6S2 and a molecular weight of 783.00 g/mol. Its IUPAC name is 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline.

Molecular Properties

Compound Name2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline
PubChem CID141006567
Molecular FormulaC50H34N6S2
Molecular Weight783.00 g/mol
Exact Mass782.23
IUPAC Name2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline
SMILESc1ccc(N2C(c3ccc4ccccc4n3)C(c3ccccn3)=C(c3cc4ccccc4s3)N(c3cccs3)C2(c2cnccn2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N6S2/c1-2-18-37(19-3-1)55-48(42-27-26-35-15-5-8-22-40(35)54-42)47(41-23-10-11-28-52-41)49(44-32-36-16-6-9-24-43(36)58-44)56(46-25-13-31-57-46)50(55,45-33-51-29-30-53-45)39-21-12-17-34-14-4-7-20-38(34)39/h1-33,48H
InChIKeyMZMVJUQJJOFPOV-UHFFFAOYSA-N
XLogP12.39
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.00
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-[6-naphthalen-1-yl-2-phenyl-5-(7H-purin-2-yl)-6-pyrazin-2-yl-4-quinolin-2-yl-3-thiophen-2-yl-1-(2H-triazol-4-yl)cyclohexa-2,4-dien-1-yl]-1,3-benzothiazole
CID 141113817
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-[5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-6-pyrazin-2-yl-7-pyrimidin-2-yl-4-quinolin-2-yl-1H-indol-2-yl]quinoxaline
CID 141152611
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,2-oxazole
CID 141013506
6-(1-benzothiophen-2-yl)-N-phenyl-N-[1-(4-pyrazin-2-ylphenyl)pyrrol-3-yl]pyridin-2-amine
CID 59661018
3-(2-pyridin-2-yl-1-benzothiophen-5-yl)benzo[h]quinoline
CID 123584369
1-[6-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-7-quinolin-2-yl-2-benzofuran-1-yl]isoquinoline
CID 141080144
2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 160845402
2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
CID 142329467
2-[3-[4-(1-benzothiophen-2-yl)phenyl]-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163807686

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline?
The IUPAC name of 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline (CID 141006567) is 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline.
What is the SMILES notation for 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline?
The canonical SMILES for 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline is c1ccc(N2C(c3ccc4ccccc4n3)C(c3ccccn3)=C(c3cc4ccccc4s3)N(c3cccs3)C2(c2cnccn2)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline?
The InChIKey is MZMVJUQJJOFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6S2/c1-2-18-37(19-3-1)55-48(42-27-26-35-15-5-8-22-40(35)54-42)47(41-23-10-11-28-52-41)49(44-32-36-16-6-9-24-43(36)58-44)56(46-25-13-31-57-46)50(55,45-33-51-29-30-53-45)39-21-12-17-34-14-4-7-20-38(34)39/h1-33,48H.
What are the key properties of 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline?
2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline has a molecular weight of 783.00 g/mol, XLogP of 12.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzothiophen-2-yl)-2-naphthalen-1-yl-3-phenyl-2-pyrazin-2-yl-5-pyridin-2-yl-1-thiophen-2-yl-4H-pyrimidin-4-yl]quinoline is sourced from PubChem (CID 141006567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).