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

C43H28N2O — CID 58410021

IUPAC3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C43H28N2O/c1-43(2)36-22-25(27-15-9-16-35-32-12-7-8-17-39(32)46-42(27)35)18-20-30(36)31-21-19-26(23-37(31)43)38-24-44-40-33-13-5-3-10-28(33)29-11-4-6-14-34(29)41(40)45-38/h3-24H,1-2H3
InChIKeyRHEMNWQPWOFZFO-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.48
Rot. Bonds2

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

3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 58410021) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID58410021
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C43H28N2O/c1-43(2)36-22-25(27-15-9-16-35-32-12-7-8-17-39(32)46-42(27)35)18-20-30(36)31-21-19-26(23-37(31)43)38-24-44-40-33-13-5-3-10-28(33)29-11-4-6-14-34(29)41(40)45-38/h3-24H,1-2H3
InChIKeyRHEMNWQPWOFZFO-UHFFFAOYSA-N
XLogP11.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 511.48
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

5-(4-(9,9-Dimethyl-9H-fluoren-3-yl)naphthalen-1-yl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257149
8-[4-[4-(1-Benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
CID 11258941
8-[4-[4-(1-Benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
CID 11362420
8-[4-[4-(1-Benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline
CID 11453166
2-(4-Dibenzofuran-4-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049864
2-(3-Dibenzofuran-2-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049865
2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049926
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
3,8-Di(dibenzofuran-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 121460995
3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide
CID 123159236

Frequently Asked Questions

What is the IUPAC name of 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine (CID 58410021) is 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine is CC1(C)c2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is RHEMNWQPWOFZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-43(2)36-22-25(27-15-9-16-35-32-12-7-8-17-39(32)46-42(27)35)18-20-30(36)31-21-19-26(23-37(31)43)38-24-44-40-33-13-5-3-10-28(33)29-11-4-6-14-34(29)41(40)45-38/h3-24H,1-2H3.
What are the key properties of 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 588.71 g/mol, XLogP of 11.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).