6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

C46H28N2O — CID 129063664

IUPAC6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)cc5)cc4)cc3)cccc12
InChIInChI=1S/C46H28N2O/c1-2-8-40-37(6-1)38-25-24-35(28-42(38)45-44(40)47-26-27-48-45)33-18-16-31(17-19-33)29-12-14-30(15-13-29)32-20-22-34(23-21-32)36-9-5-10-41-39-7-3-4-11-43(39)49-46(36)41/h1-28H
InChIKeyMVEGROHJWXUEFZ-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063664) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129063664
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)cc5)cc4)cc3)cccc12
InChIInChI=1S/C46H28N2O/c1-2-8-40-37(6-1)38-25-24-35(28-42(38)45-44(40)47-26-27-48-45)33-18-16-31(17-19-33)29-12-14-30(15-13-29)32-20-22-34(23-21-32)36-9-5-10-41-39-7-3-4-11-43(39)49-46(36)41/h1-28H
InChIKeyMVEGROHJWXUEFZ-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063664) is 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)cc5)cc4)cc3)cccc12.
What is the InChIKey of 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is MVEGROHJWXUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-8-40-37(6-1)38-25-24-35(28-42(38)45-44(40)47-26-27-48-45)33-18-16-31(17-19-33)29-12-14-30(15-13-29)32-20-22-34(23-21-32)36-9-5-10-41-39-7-3-4-11-43(39)49-46(36)41/h1-28H.
What are the key properties of 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).