2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine

C58H34N2O2S — CID 58501591

IUPAC2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
SMILESc1ccc(-c2ccccc2-c2ccc3oc4ccc(-c5ccc6sc7ccc(-c8ccc9oc%10ccc(-c%11ccccc%11-c%11ccccn%11)cc%10c9c8)cc7c6c5)cc4c3c2)nc1
InChIInChI=1S/C58H34N2O2S/c1-3-11-43(51-13-5-7-27-59-51)41(9-1)39-17-23-55-47(33-39)45-29-35(15-21-53(45)61-55)37-19-25-57-49(31-37)50-32-38(20-26-58(50)63-57)36-16-22-54-46(30-36)48-34-40(18-24-56(48)62-54)42-10-2-4-12-44(42)52-14-6-8-28-60-52/h1-34H
InChIKeyIKJSGXXZMJMWCV-UHFFFAOYSA-N
MW822.99 g/mol
LogP16.65
Rot. Bonds6

About 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine

2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine (PubChem CID 58501591) has the molecular formula C58H34N2O2S and a molecular weight of 822.99 g/mol. Its IUPAC name is 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
PubChem CID58501591
Molecular FormulaC58H34N2O2S
Molecular Weight822.99 g/mol
Exact Mass822.23
IUPAC Name2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
SMILESc1ccc(-c2ccccc2-c2ccc3oc4ccc(-c5ccc6sc7ccc(-c8ccc9oc%10ccc(-c%11ccccc%11-c%11ccccn%11)cc%10c9c8)cc7c6c5)cc4c3c2)nc1
InChIInChI=1S/C58H34N2O2S/c1-3-11-43(51-13-5-7-27-59-51)41(9-1)39-17-23-55-47(33-39)45-29-35(15-21-53(45)61-55)37-19-25-57-49(31-37)50-32-38(20-26-58(50)63-57)36-16-22-54-46(30-36)48-34-40(18-24-56(48)62-54)42-10-2-4-12-44(42)52-14-6-8-28-60-52/h1-34H
InChIKeyIKJSGXXZMJMWCV-UHFFFAOYSA-N
XLogP16.65
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.99
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine?
The IUPAC name of 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine (CID 58501591) is 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine?
The canonical SMILES for 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine is c1ccc(-c2ccccc2-c2ccc3oc4ccc(-c5ccc6sc7ccc(-c8ccc9oc%10ccc(-c%11ccccc%11-c%11ccccn%11)cc%10c9c8)cc7c6c5)cc4c3c2)nc1.
What is the InChIKey of 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine?
The InChIKey is IKJSGXXZMJMWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O2S/c1-3-11-43(51-13-5-7-27-59-51)41(9-1)39-17-23-55-47(33-39)45-29-35(15-21-53(45)61-55)37-19-25-57-49(31-37)50-32-38(20-26-58(50)63-57)36-16-22-54-46(30-36)48-34-40(18-24-56(48)62-54)42-10-2-4-12-44(42)52-14-6-8-28-60-52/h1-34H.
What are the key properties of 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine?
2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine has a molecular weight of 822.99 g/mol, XLogP of 16.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[8-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine is sourced from PubChem (CID 58501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).