8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C52H31N3O2 — CID 90265787

IUPAC8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)cc3c3cc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C52H31N3O2/c1-2-12-40(13-3-1)55-45-20-16-36(32-8-4-10-34(26-32)38-18-22-47-43(30-38)51-49(56-47)14-6-24-53-51)28-41(45)42-29-37(17-21-46(42)55)33-9-5-11-35(27-33)39-19-23-48-44(31-39)52-50(57-48)15-7-25-54-52/h1-31H
InChIKeyPOJVYTCDRMOZBH-UHFFFAOYSA-N
MW729.84 g/mol
LogP14.04
Rot. Bonds5

About 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90265787) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90265787
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)cc3c3cc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C52H31N3O2/c1-2-12-40(13-3-1)55-45-20-16-36(32-8-4-10-34(26-32)38-18-22-47-43(30-38)51-49(56-47)14-6-24-53-51)28-41(45)42-29-37(17-21-46(42)55)33-9-5-11-35(27-33)39-19-23-48-44(31-39)52-50(57-48)15-7-25-54-52/h1-31H
InChIKeyPOJVYTCDRMOZBH-UHFFFAOYSA-N
XLogP14.04
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90265787) is 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c3ccc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)cc3c3cc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is POJVYTCDRMOZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-2-12-40(13-3-1)55-45-20-16-36(32-8-4-10-34(26-32)38-18-22-47-43(30-38)51-49(56-47)14-6-24-53-51)28-41(45)42-29-37(17-21-46(42)55)33-9-5-11-35(27-33)39-19-23-48-44(31-39)52-50(57-48)15-7-25-54-52/h1-31H.
What are the key properties of 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 729.84 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90265787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).