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

C58H35N3O2 — CID 90265722

IUPAC6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6c(cn5)oc5ccc(-c7cccc(-c8cccc(-c9ccc%10oc%11ncccc%11c%10c9)c8)c7)cc56)c4)ccc32)cc1
InChIInChI=1S/C58H35N3O2/c1-2-16-45(17-3-1)61-53-20-5-4-18-46(53)48-31-41(21-24-54(48)61)40-14-8-15-44(30-40)52-34-51-50-33-43(22-25-55(50)62-57(51)35-60-52)39-13-7-11-37(29-39)36-10-6-12-38(28-36)42-23-26-56-49(32-42)47-19-9-27-59-58(47)63-56/h1-35H
InChIKeyCLVVZGJOPKFTEH-UHFFFAOYSA-N
MW805.94 g/mol
LogP15.71
Rot. Bonds6

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

6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 90265722) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID90265722
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6c(cn5)oc5ccc(-c7cccc(-c8cccc(-c9ccc%10oc%11ncccc%11c%10c9)c8)c7)cc56)c4)ccc32)cc1
InChIInChI=1S/C58H35N3O2/c1-2-16-45(17-3-1)61-53-20-5-4-18-46(53)48-31-41(21-24-54(48)61)40-14-8-15-44(30-40)52-34-51-50-33-43(22-25-55(50)62-57(51)35-60-52)39-13-7-11-37(29-39)36-10-6-12-38(28-36)42-23-26-56-49(32-42)47-19-9-27-59-58(47)63-56/h1-35H
InChIKeyCLVVZGJOPKFTEH-UHFFFAOYSA-N
XLogP15.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)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-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine (CID 90265722) is 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6c(cn5)oc5ccc(-c7cccc(-c8cccc(-c9ccc%10oc%11ncccc%11c%10c9)c8)c7)cc56)c4)ccc32)cc1.
What is the InChIKey of 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is CLVVZGJOPKFTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-2-16-45(17-3-1)61-53-20-5-4-18-46(53)48-31-41(21-24-54(48)61)40-14-8-15-44(30-40)52-34-51-50-33-43(22-25-55(50)62-57(51)35-60-52)39-13-7-11-37(29-39)36-10-6-12-38(28-36)42-23-26-56-49(32-42)47-19-9-27-59-58(47)63-56/h1-35H.
What are the key properties of 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 805.94 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-3-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 90265722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).