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

C116H72N6O3 — CID 162190524

IUPAC10-(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
SMILESCc1nc2c3ccccc3c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc3c2nc1C.c1ccc(-c2cnc3c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4c4ccccc4c3n2)cc1.c1ccc(-c2cnc3c4ccccc4c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc4c3n2)cc1
InChIInChI=1S/2C40H24N2O.C36H24N2O/c1-2-10-25(11-3-1)36-24-41-38-33-21-20-27(23-35(33)30-14-4-5-16-32(30)39(38)42-36)26-12-8-13-28(22-26)29-17-9-18-34-31-15-6-7-19-37(31)43-40(29)34;1-2-10-25(11-3-1)36-24-41-38-32-16-5-4-14-30(32)35-23-27(20-21-33(35)39(38)42-36)26-12-8-13-28(22-26)29-17-9-18-34-31-15-6-7-19-37(31)43-40(29)34;1-21-22(2)38-35-30-18-17-24(20-32(30)27-11-3-4-13-29(27)34(35)37-21)23-9-7-10-25(19-23)26-14-8-15-31-28-12-5-6-16-33(28)39-36(26)31/h2*1-24H;3-20H,1-2H3
InChIKeyZQFWDZSXBVCMPU-UHFFFAOYSA-N
MW1597.89 g/mol
LogP31.46
Rot. Bonds8

About 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

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 (PubChem CID 162190524) has the molecular formula C116H72N6O3 and a molecular weight of 1597.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID162190524
Molecular FormulaC116H72N6O3
Molecular Weight1597.89 g/mol
Exact Mass1596.57
IUPAC Name10-(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
SMILESCc1nc2c3ccccc3c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc3c2nc1C.c1ccc(-c2cnc3c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4c4ccccc4c3n2)cc1.c1ccc(-c2cnc3c4ccccc4c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc4c3n2)cc1
InChIInChI=1S/2C40H24N2O.C36H24N2O/c1-2-10-25(11-3-1)36-24-41-38-33-21-20-27(23-35(33)30-14-4-5-16-32(30)39(38)42-36)26-12-8-13-28(22-26)29-17-9-18-34-31-15-6-7-19-37(31)43-40(29)34;1-2-10-25(11-3-1)36-24-41-38-32-16-5-4-14-30(32)35-23-27(20-21-33(35)39(38)42-36)26-12-8-13-28(22-26)29-17-9-18-34-31-15-6-7-19-37(31)43-40(29)34;1-21-22(2)38-35-30-18-17-24(20-32(30)27-11-3-4-13-29(27)34(35)37-21)23-9-7-10-25(19-23)26-14-8-15-31-28-12-5-6-16-33(28)39-36(26)31/h2*1-24H;3-20H,1-2H3
InChIKeyZQFWDZSXBVCMPU-UHFFFAOYSA-N
XLogP31.46
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001597.89
LogP ≤ 531.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442
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-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
3-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295
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
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c3ccccc3c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc3c2nc1C.c1ccc(-c2cnc3c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4c4ccccc4c3n2)cc1.c1ccc(-c2cnc3c4ccccc4c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is ZQFWDZSXBVCMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H24N2O.C36H24N2O/c1-2-10-25(11-3-1)36-24-41-38-33-21-20-27(23-35(33)30-14-4-5-16-32(30)39(38)42-36)26-12-8-13-28(22-26)29-17-9-18-34-31-15-6-7-19-37(31)43-40(29)34;1-2-10-25(11-3-1)36-24-41-38-32-16-5-4-14-30(32)35-23-27(20-21-33(35)39(38)42-36)26-12-8-13-28(22-26)29-17-9-18-34-31-15-6-7-19-37(31)43-40(29)34;1-21-22(2)38-35-30-18-17-24(20-32(30)27-11-3-4-13-29(27)34(35)37-21)23-9-7-10-25(19-23)26-14-8-15-31-28-12-5-6-16-33(28)39-36(26)31/h2*1-24H;3-20H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1597.89 g/mol, XLogP of 31.46, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162190524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).