4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine

C44H42N2O4S3 — CID 123534305

IUPAC4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
SMILESCOc1cccc(OC(C)C)c1-c1cc(-c2ccncc2)c(-c2sc(-c3sc(-c4c(OC)cccc4OC(C)C)cc3-c3ccncc3)c(C)c2C)s1
InChIInChI=1S/C44H42N2O4S3/c1-25(2)49-35-13-9-11-33(47-7)39(35)37-23-31(29-15-19-45-20-16-29)43(51-37)41-27(5)28(6)42(53-41)44-32(30-17-21-46-22-18-30)24-38(52-44)40-34(48-8)12-10-14-36(40)50-26(3)4/h9-26H,1-8H3
InChIKeyBZYMIBIONFICNA-UHFFFAOYSA-N
MW759.03 g/mol
LogP12.87
Rot. Bonds12

About 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine

4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine (PubChem CID 123534305) has the molecular formula C44H42N2O4S3 and a molecular weight of 759.03 g/mol. Its IUPAC name is 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
PubChem CID123534305
Molecular FormulaC44H42N2O4S3
Molecular Weight759.03 g/mol
Exact Mass758.23
IUPAC Name4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
SMILESCOc1cccc(OC(C)C)c1-c1cc(-c2ccncc2)c(-c2sc(-c3sc(-c4c(OC)cccc4OC(C)C)cc3-c3ccncc3)c(C)c2C)s1
InChIInChI=1S/C44H42N2O4S3/c1-25(2)49-35-13-9-11-33(47-7)39(35)37-23-31(29-15-19-45-20-16-29)43(51-37)41-27(5)28(6)42(53-41)44-32(30-17-21-46-22-18-30)24-38(52-44)40-34(48-8)12-10-14-36(40)50-26(3)4/h9-26H,1-8H3
InChIKeyBZYMIBIONFICNA-UHFFFAOYSA-N
XLogP12.87
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.03
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine?
The IUPAC name of 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine (CID 123534305) is 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine.
What is the SMILES notation for 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine?
The canonical SMILES for 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine is COc1cccc(OC(C)C)c1-c1cc(-c2ccncc2)c(-c2sc(-c3sc(-c4c(OC)cccc4OC(C)C)cc3-c3ccncc3)c(C)c2C)s1.
What is the InChIKey of 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine?
The InChIKey is BZYMIBIONFICNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2O4S3/c1-25(2)49-35-13-9-11-33(47-7)39(35)37-23-31(29-15-19-45-20-16-29)43(51-37)41-27(5)28(6)42(53-41)44-32(30-17-21-46-22-18-30)24-38(52-44)40-34(48-8)12-10-14-36(40)50-26(3)4/h9-26H,1-8H3.
What are the key properties of 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine?
4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine has a molecular weight of 759.03 g/mol, XLogP of 12.87, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine is sourced from PubChem (CID 123534305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).