6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine

C57H33N3O2S — CID 90265684

IUPAC6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1cc(-c2cccc(-c3ccc4sc5cnc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3oc4cnccc4c3c2)c1
InChIInChI=1S/C57H33N3O2S/c1-5-34(23-37(8-1)41-13-16-52-47(27-41)45-19-21-58-31-54(45)61-52)35-6-2-10-39(24-35)43-15-18-56-49(29-43)50-30-51(60-33-57(50)63-56)44-12-4-11-40(26-44)36-7-3-9-38(25-36)42-14-17-53-48(28-42)46-20-22-59-32-55(46)62-53/h1-33H
InChIKeyKVCFDXWSZKZDJP-UHFFFAOYSA-N
MW823.98 g/mol
LogP16.04
Rot. Bonds6

About 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine

6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 90265684) has the molecular formula C57H33N3O2S and a molecular weight of 823.98 g/mol. Its IUPAC name is 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID90265684
Molecular FormulaC57H33N3O2S
Molecular Weight823.98 g/mol
Exact Mass823.23
IUPAC Name6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1cc(-c2cccc(-c3ccc4sc5cnc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3oc4cnccc4c3c2)c1
InChIInChI=1S/C57H33N3O2S/c1-5-34(23-37(8-1)41-13-16-52-47(27-41)45-19-21-58-31-54(45)61-52)35-6-2-10-39(24-35)43-15-18-56-49(29-43)50-30-51(60-33-57(50)63-56)44-12-4-11-40(26-44)36-7-3-9-38(25-36)42-14-17-53-48(28-42)46-20-22-59-32-55(46)62-53/h1-33H
InChIKeyKVCFDXWSZKZDJP-UHFFFAOYSA-N
XLogP16.04
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.98
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 90265684) is 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine is c1cc(-c2cccc(-c3ccc4sc5cnc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3oc4cnccc4c3c2)c1.
What is the InChIKey of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is KVCFDXWSZKZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2S/c1-5-34(23-37(8-1)41-13-16-52-47(27-41)45-19-21-58-31-54(45)61-52)35-6-2-10-39(24-35)43-15-18-56-49(29-43)50-30-51(60-33-57(50)63-56)44-12-4-11-40(26-44)36-7-3-9-38(25-36)42-14-17-53-48(28-42)46-20-22-59-32-55(46)62-53/h1-33H.
What are the key properties of 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?
6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 823.98 g/mol, XLogP of 16.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[3-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 90265684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).