10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine

C49H32N2O — CID 129063490

IUPAC10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc21
InChIInChI=1S/C49H32N2O/c1-49(2)43-27-31(29-9-7-10-33(25-29)34-14-8-15-41-38-12-5-6-16-45(38)52-48(34)41)17-20-36(43)37-21-18-32(28-44(37)49)30-19-22-40-42(26-30)35-11-3-4-13-39(35)46-47(40)51-24-23-50-46/h3-28H,1-2H3
InChIKeyQHUIDTXBMAIYAY-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.14
Rot. Bonds3

About 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine

10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 129063490) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
PubChem CID129063490
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc21
InChIInChI=1S/C49H32N2O/c1-49(2)43-27-31(29-9-7-10-33(25-29)34-14-8-15-41-38-12-5-6-16-45(38)52-48(34)41)17-20-36(43)37-21-18-32(28-44(37)49)30-19-22-40-42(26-30)35-11-3-4-13-39(35)46-47(40)51-24-23-50-46/h3-28H,1-2H3
InChIKeyQHUIDTXBMAIYAY-UHFFFAOYSA-N
XLogP13.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]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 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine (CID 129063490) is 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine is CC1(C)c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc21.
What is the InChIKey of 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is QHUIDTXBMAIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-49(2)43-27-31(29-9-7-10-33(25-29)34-14-8-15-41-38-12-5-6-16-45(38)52-48(34)41)17-20-36(43)37-21-18-32(28-44(37)49)30-19-22-40-42(26-30)35-11-3-4-13-39(35)46-47(40)51-24-23-50-46/h3-28H,1-2H3.
What are the key properties of 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine?
10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 664.81 g/mol, XLogP of 13.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(3-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).