3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine

C35H22N2O — CID 58410000

IUPAC3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cccc2c1oc1c(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)cccc12
InChIInChI=1S/C35H22N2O/c1-21-9-6-17-29-30-18-8-16-24(35(30)38-34(21)29)22-10-7-11-23(19-22)31-20-36-32-27-14-4-2-12-25(27)26-13-3-5-15-28(26)33(32)37-31/h2-20H,1H3
InChIKeyCUNLJYVWPOBAAT-UHFFFAOYSA-N
MW486.57 g/mol
LogP9.48
Rot. Bonds2

About 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 58410000) has the molecular formula C35H22N2O and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID58410000
Molecular FormulaC35H22N2O
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cccc2c1oc1c(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)cccc12
InChIInChI=1S/C35H22N2O/c1-21-9-6-17-29-30-18-8-16-24(35(30)38-34(21)29)22-10-7-11-23(19-22)31-20-36-32-27-14-4-2-12-25(27)26-13-3-5-15-28(26)33(32)37-31/h2-20H,1H3
InChIKeyCUNLJYVWPOBAAT-UHFFFAOYSA-N
XLogP9.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-{4-[2-(1-Benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline
CID 11383270
(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one
CID 90676251
5-(1-Benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline
CID 134181112
1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine
CID 10267716
N-(5,7-dimethylquinolin-8-yl)-2-methoxybenzamide
CID 886205
1-Dibenzofuran-4-ylisoquinoline
CID 459769
8-[(R)-1-benzofuran-5-yl-(4-fluorophenyl)methyl]quinoline
CID 134956522
N-benzo[f]quinolin-2-yl-1-(furan-2-yl)methanimine
CID 2310156
6-(2-(Benzofuran-5-yl)cyclobutyl)quinoline
CID 172635818
8-[4-[2-(5-Fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
CID 11153056
6-Fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
CID 11223112
8-[4-[2-(1-Benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline
CID 11234657

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 58410000) is 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1cccc2c1oc1c(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)cccc12.
What is the InChIKey of 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is CUNLJYVWPOBAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O/c1-21-9-6-17-29-30-18-8-16-24(35(30)38-34(21)29)22-10-7-11-23(19-22)31-20-36-32-27-14-4-2-12-25(27)26-13-3-5-15-28(26)33(32)37-31/h2-20H,1H3.
What are the key properties of 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 486.57 g/mol, XLogP of 9.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).