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

C47H28N2O2 — CID 163677065

IUPAC8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c(-c5ccc6oc7ccccc7c6c5)cccc4-c4ccc5oc6cccnc6c5c4)ccc32)cc1
InChIInChI=1S/C47H28N2O2/c1-2-10-32(11-3-1)49-40-16-6-4-12-35(40)37-28-31(19-22-41(37)49)46-33(29-20-23-43-38(26-29)36-13-5-7-17-42(36)50-43)14-8-15-34(46)30-21-24-44-39(27-30)47-45(51-44)18-9-25-48-47/h1-28H
InChIKeyJHOUKPGKVFOONX-UHFFFAOYSA-N
MW652.75 g/mol
LogP12.98
Rot. Bonds4

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

8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 163677065) has the molecular formula C47H28N2O2 and a molecular weight of 652.75 g/mol. Its IUPAC name is 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID163677065
Molecular FormulaC47H28N2O2
Molecular Weight652.75 g/mol
Exact Mass652.22
IUPAC Name8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c(-c5ccc6oc7ccccc7c6c5)cccc4-c4ccc5oc6cccnc6c5c4)ccc32)cc1
InChIInChI=1S/C47H28N2O2/c1-2-10-32(11-3-1)49-40-16-6-4-12-35(40)37-28-31(19-22-41(37)49)46-33(29-20-23-43-38(26-29)36-13-5-7-17-42(36)50-43)14-8-15-34(46)30-21-24-44-39(27-30)47-45(51-44)18-9-25-48-47/h1-28H
InChIKeyJHOUKPGKVFOONX-UHFFFAOYSA-N
XLogP12.98
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.75
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 163677065) is 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c3ccccc3c3cc(-c4c(-c5ccc6oc7ccccc7c6c5)cccc4-c4ccc5oc6cccnc6c5c4)ccc32)cc1.
What is the InChIKey of 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is JHOUKPGKVFOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2/c1-2-10-32(11-3-1)49-40-16-6-4-12-35(40)37-28-31(19-22-41(37)49)46-33(29-20-23-43-38(26-29)36-13-5-7-17-42(36)50-43)14-8-15-34(46)30-21-24-44-39(27-30)47-45(51-44)18-9-25-48-47/h1-28H.
What are the key properties of 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 652.75 g/mol, XLogP of 12.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-dibenzofuran-2-yl-2-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 163677065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).