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

C115H70N6O3 — CID 160606052

IUPAC3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
SMILESCc1nc2c3ccccc3c3ccccc3c2nc1-c1ccccc1-c1cccc2c1oc1ccccc12.c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccccc2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/2C40H24N2O.C35H22N2O/c1-2-13-25(14-3-1)36-37(42-39-31-20-8-5-16-27(31)26-15-4-7-19-30(26)38(39)41-36)32-21-9-6-17-28(32)33-22-12-23-34-29-18-10-11-24-35(29)43-40(33)34;1-2-11-26(12-3-1)36-37(42-39-33-17-7-5-14-30(33)29-13-4-6-16-32(29)38(39)41-36)27-23-21-25(22-24-27)28-18-10-19-34-31-15-8-9-20-35(31)43-40(28)34;1-21-32(37-34-28-17-7-3-12-23(28)22-11-2-6-16-27(22)33(34)36-21)26-15-5-4-13-24(26)29-18-10-19-30-25-14-8-9-20-31(25)38-35(29)30/h2*1-24H;2-20H,1H3
InChIKeyREWOLTCASKLEBU-UHFFFAOYSA-N
MW1583.86 g/mol
LogP31.15
Rot. Bonds8

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

3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine (PubChem CID 160606052) has the molecular formula C115H70N6O3 and a molecular weight of 1583.86 g/mol. Its IUPAC name is 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
PubChem CID160606052
Molecular FormulaC115H70N6O3
Molecular Weight1583.86 g/mol
Exact Mass1582.55
IUPAC Name3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
SMILESCc1nc2c3ccccc3c3ccccc3c2nc1-c1ccccc1-c1cccc2c1oc1ccccc12.c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccccc2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/2C40H24N2O.C35H22N2O/c1-2-13-25(14-3-1)36-37(42-39-31-20-8-5-16-27(31)26-15-4-7-19-30(26)38(39)41-36)32-21-9-6-17-28(32)33-22-12-23-34-29-18-10-11-24-35(29)43-40(33)34;1-2-11-26(12-3-1)36-37(42-39-33-17-7-5-14-30(33)29-13-4-6-16-32(29)38(39)41-36)27-23-21-25(22-24-27)28-18-10-19-34-31-15-8-9-20-35(31)43-40(28)34;1-21-32(37-34-28-17-7-3-12-23(28)22-11-2-6-16-27(22)33(34)36-21)26-15-5-4-13-24(26)29-18-10-19-30-25-14-8-9-20-31(25)38-35(29)30/h2*1-24H;2-20H,1H3
InChIKeyREWOLTCASKLEBU-UHFFFAOYSA-N
XLogP31.15
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001583.86
LogP ≤ 531.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
3-tert-butyl-2-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063449
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-tert-butyl-2-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063488
4-[4-[4-(5-dibenzofuran-4-yl-3,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509347
4-[2-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[2-(4-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 158579416
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
CID 170530705
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine (CID 160606052) is 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine is Cc1nc2c3ccccc3c3ccccc3c2nc1-c1ccccc1-c1cccc2c1oc1ccccc12.c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccccc2-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine?
The InChIKey is REWOLTCASKLEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H24N2O.C35H22N2O/c1-2-13-25(14-3-1)36-37(42-39-31-20-8-5-16-27(31)26-15-4-7-19-30(26)38(39)41-36)32-21-9-6-17-28(32)33-22-12-23-34-29-18-10-11-24-35(29)43-40(33)34;1-2-11-26(12-3-1)36-37(42-39-33-17-7-5-14-30(33)29-13-4-6-16-32(29)38(39)41-36)27-23-21-25(22-24-27)28-18-10-19-34-31-15-8-9-20-35(31)43-40(28)34;1-21-32(37-34-28-17-7-3-12-23(28)22-11-2-6-16-27(22)33(34)36-21)26-15-5-4-13-24(26)29-18-10-19-30-25-14-8-9-20-31(25)38-35(29)30/h2*1-24H;2-20H,1H3.
What are the key properties of 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine?
3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine has a molecular weight of 1583.86 g/mol, XLogP of 31.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 160606052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).