3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine

C58H36N2O — CID 129063498

IUPAC3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4)cnc32)cc1
InChIInChI=1S/C58H36N2O/c1-3-11-37(12-4-1)44-29-31-49-52(34-44)53-35-45(38-13-5-2-6-14-38)30-32-50(53)57-56(49)59-36-54(60-57)46-16-9-15-43(33-46)41-23-21-39(22-24-41)40-25-27-42(28-26-40)47-18-10-19-51-48-17-7-8-20-55(48)61-58(47)51/h1-36H
InChIKeyJEKNOURTHQFAMZ-UHFFFAOYSA-N
MW776.94 g/mol
LogP15.84
Rot. Bonds6

About 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine

3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine (PubChem CID 129063498) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol. Its IUPAC name is 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
PubChem CID129063498
Molecular FormulaC58H36N2O
Molecular Weight776.94 g/mol
Exact Mass776.28
IUPAC Name3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4)cnc32)cc1
InChIInChI=1S/C58H36N2O/c1-3-11-37(12-4-1)44-29-31-49-52(34-44)53-35-45(38-13-5-2-6-14-38)30-32-50(53)57-56(49)59-36-54(60-57)46-16-9-15-43(33-46)41-23-21-39(22-24-41)40-25-27-42(28-26-40)47-18-10-19-51-48-17-7-8-20-55(48)61-58(47)51/h1-36H
InChIKeyJEKNOURTHQFAMZ-UHFFFAOYSA-N
XLogP15.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 515.84
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

3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
3-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 159901904
3-[7-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063365
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine (CID 129063498) is 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4)cnc32)cc1.
What is the InChIKey of 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
The InChIKey is JEKNOURTHQFAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-3-11-37(12-4-1)44-29-31-49-52(34-44)53-35-45(38-13-5-2-6-14-38)30-32-50(53)57-56(49)59-36-54(60-57)46-16-9-15-43(33-46)41-23-21-39(22-24-41)40-25-27-42(28-26-40)47-18-10-19-51-48-17-7-8-20-55(48)61-58(47)51/h1-36H.
What are the key properties of 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine has a molecular weight of 776.94 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).