3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C80H48N4O2 — CID 158679722

IUPAC3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)c1
InChIInChI=1S/2C40H24N2O/c1-3-13-33-30(10-1)31-11-2-4-14-34(31)40-39(33)41-24-36(42-40)26-18-16-25(17-19-26)27-8-7-9-28(22-27)29-20-21-38-35(23-29)32-12-5-6-15-37(32)43-38;1-2-10-29(27-21-22-38-35(23-27)32-13-7-8-16-37(32)43-38)28(9-1)25-17-19-26(20-18-25)36-24-41-39-33-14-5-3-11-30(33)31-12-4-6-15-34(31)40(39)42-36/h2*1-24H
InChIKeyIEYSCRUQLRRHAD-UHFFFAOYSA-N
MW1097.29 g/mol
LogP21.67
Rot. Bonds6

About 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158679722) has the molecular formula C80H48N4O2 and a molecular weight of 1097.29 g/mol. Its IUPAC name is 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID158679722
Molecular FormulaC80H48N4O2
Molecular Weight1097.29 g/mol
Exact Mass1096.38
IUPAC Name3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)c1
InChIInChI=1S/2C40H24N2O/c1-3-13-33-30(10-1)31-11-2-4-14-34(31)40-39(33)41-24-36(42-40)26-18-16-25(17-19-26)27-8-7-9-28(22-27)29-20-21-38-35(23-29)32-12-5-6-15-37(32)43-38;1-2-10-29(27-21-22-38-35(23-27)32-13-7-8-16-37(32)43-38)28(9-1)25-17-19-26(20-18-25)36-24-41-39-33-14-5-3-11-30(33)31-12-4-6-15-34(31)40(39)42-36/h2*1-24H
InChIKeyIEYSCRUQLRRHAD-UHFFFAOYSA-N
XLogP21.67
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.29
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)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

Related Compounds

3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063437
3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063503
3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063529
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
3-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063512
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[3-[2,8-bis(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425272
3-[4-[2-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425374

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 158679722) is 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)c1.
What is the InChIKey of 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is IEYSCRUQLRRHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H24N2O/c1-3-13-33-30(10-1)31-11-2-4-14-34(31)40-39(33)41-24-36(42-40)26-18-16-25(17-19-26)27-8-7-9-28(22-27)29-20-21-38-35(23-29)32-12-5-6-15-37(32)43-38;1-2-10-29(27-21-22-38-35(23-27)32-13-7-8-16-37(32)43-38)28(9-1)25-17-19-26(20-18-25)36-24-41-39-33-14-5-3-11-30(33)31-12-4-6-15-34(31)40(39)42-36/h2*1-24H.
What are the key properties of 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1097.29 g/mol, XLogP of 21.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158679722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).