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

C50H48N2O4S4 — CID 123796781

IUPAC4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
SMILESCOc1cccc(OC(C)C)c1-c1cc(-c2ccncc2)c(-c2sc(-c3sc(-c4sc(-c5c(OC)cccc5OC(C)C)cc4-c4ccncc4)c(C)c3C)c(C)c2C)s1
InChIInChI=1S/C50H48N2O4S4/c1-27(2)55-39-15-11-13-37(53-9)43(39)41-25-35(33-17-21-51-22-18-33)49(57-41)47-31(7)29(5)45(59-47)46-30(6)32(8)48(60-46)50-36(34-19-23-52-24-20-34)26-42(58-50)44-38(54-10)14-12-16-40(44)56-28(3)4/h11-28H,1-10H3
InChIKeyQRXFEDJYSSLAPF-UHFFFAOYSA-N
MW869.21 g/mol
LogP15.22
Rot. Bonds13

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

4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine (PubChem CID 123796781) has the molecular formula C50H48N2O4S4 and a molecular weight of 869.21 g/mol. Its IUPAC name is 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-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-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
PubChem CID123796781
Molecular FormulaC50H48N2O4S4
Molecular Weight869.21 g/mol
Exact Mass868.25
IUPAC Name4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine
SMILESCOc1cccc(OC(C)C)c1-c1cc(-c2ccncc2)c(-c2sc(-c3sc(-c4sc(-c5c(OC)cccc5OC(C)C)cc4-c4ccncc4)c(C)c3C)c(C)c2C)s1
InChIInChI=1S/C50H48N2O4S4/c1-27(2)55-39-15-11-13-37(53-9)43(39)41-25-35(33-17-21-51-22-18-33)49(57-41)47-31(7)29(5)45(59-47)46-30(6)32(8)48(60-46)50-36(34-19-23-52-24-20-34)26-42(58-50)44-38(54-10)14-12-16-40(44)56-28(3)4/h11-28H,1-10H3
InChIKeyQRXFEDJYSSLAPF-UHFFFAOYSA-N
XLogP15.22
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.21
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-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-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-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-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine (CID 123796781) is 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-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-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-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-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine is COc1cccc(OC(C)C)c1-c1cc(-c2ccncc2)c(-c2sc(-c3sc(-c4sc(-c5c(OC)cccc5OC(C)C)cc4-c4ccncc4)c(C)c3C)c(C)c2C)s1.
What is the InChIKey of 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine?
The InChIKey is QRXFEDJYSSLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N2O4S4/c1-27(2)55-39-15-11-13-37(53-9)43(39)41-25-35(33-17-21-51-22-18-33)49(57-41)47-31(7)29(5)45(59-47)46-30(6)32(8)48(60-46)50-36(34-19-23-52-24-20-34)26-42(58-50)44-38(54-10)14-12-16-40(44)56-28(3)4/h11-28H,1-10H3.
What are the key properties of 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine?
4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine has a molecular weight of 869.21 g/mol, XLogP of 15.22, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxy-6-propan-2-yloxyphenyl)-2-[5-[5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-pyridin-4-ylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophen-3-yl]pyridine is sourced from PubChem (CID 123796781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).