7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine

C58H35N9S2 — CID 154992130

IUPAC7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
SMILESc1ccc(-n2c(-c3cc4ccccc4cc3-c3ccc(-n4c(-c5cccs5)nc5c(-c6ccc(-n7c(-c8cc9ccccc9s8)nc8ccncc87)cc6)cncc54)cc3)nc3ccncc32)cc1
InChIInChI=1S/C58H35N9S2/c1-2-12-41(13-3-1)65-49-33-59-26-24-47(49)62-56(65)45-30-39-10-5-4-9-38(39)29-44(45)36-16-20-43(21-17-36)67-51-35-61-32-46(55(51)64-57(67)53-15-8-28-68-53)37-18-22-42(23-19-37)66-50-34-60-27-25-48(50)63-58(66)54-31-40-11-6-7-14-52(40)69-54/h1-35H
InChIKeyPRNAUMORDOVBRF-UHFFFAOYSA-N
MW922.12 g/mol
LogP14.65
Rot. Bonds8

About 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine

7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine (PubChem CID 154992130) has the molecular formula C58H35N9S2 and a molecular weight of 922.12 g/mol. Its IUPAC name is 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
PubChem CID154992130
Molecular FormulaC58H35N9S2
Molecular Weight922.12 g/mol
Exact Mass921.25
IUPAC Name7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
SMILESc1ccc(-n2c(-c3cc4ccccc4cc3-c3ccc(-n4c(-c5cccs5)nc5c(-c6ccc(-n7c(-c8cc9ccccc9s8)nc8ccncc87)cc6)cncc54)cc3)nc3ccncc32)cc1
InChIInChI=1S/C58H35N9S2/c1-2-12-41(13-3-1)65-49-33-59-26-24-47(49)62-56(65)45-30-39-10-5-4-9-38(39)29-44(45)36-16-20-43(21-17-36)67-51-35-61-32-46(55(51)64-57(67)53-15-8-28-68-53)37-18-22-42(23-19-37)66-50-34-60-27-25-48(50)63-58(66)54-31-40-11-6-7-14-52(40)69-54/h1-35H
InChIKeyPRNAUMORDOVBRF-UHFFFAOYSA-N
XLogP14.65
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.12
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine (CID 154992130) is 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine is c1ccc(-n2c(-c3cc4ccccc4cc3-c3ccc(-n4c(-c5cccs5)nc5c(-c6ccc(-n7c(-c8cc9ccccc9s8)nc8ccncc87)cc6)cncc54)cc3)nc3ccncc32)cc1.
What is the InChIKey of 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
The InChIKey is PRNAUMORDOVBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N9S2/c1-2-12-41(13-3-1)65-49-33-59-26-24-47(49)62-56(65)45-30-39-10-5-4-9-38(39)29-44(45)36-16-20-43(21-17-36)67-51-35-61-32-46(55(51)64-57(67)53-15-8-28-68-53)37-18-22-42(23-19-37)66-50-34-60-27-25-48(50)63-58(66)54-31-40-11-6-7-14-52(40)69-54/h1-35H.
What are the key properties of 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine has a molecular weight of 922.12 g/mol, XLogP of 14.65, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(1-benzothiophen-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-[4-[3-(3-phenylimidazo[4,5-c]pyridin-2-yl)naphthalen-2-yl]phenyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 154992130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).