10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine

C108H72N6O3 — CID 159346875

IUPAC10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c2oc3c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)c4)cc(C)cc3c2c1.Cc1ccc2oc3c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)c4)cc(C)cc3c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)c3)cccc12
InChIInChI=1S/C37H26N2O.C36H24N2O.C35H22N2O/c1-21-15-23(3)36-32(17-21)33-18-22(2)16-30(37(33)40-36)26-8-6-7-24(19-26)25-11-12-29-31(20-25)27-9-4-5-10-28(27)34-35(29)39-14-13-38-34;1-21-10-13-33-31(16-21)32-18-22(2)17-29(36(32)39-33)25-7-5-6-23(19-25)24-11-12-28-30(20-24)26-8-3-4-9-27(26)34-35(28)38-15-14-37-34;1-21-7-4-13-29-30-14-6-12-25(35(30)38-34(21)29)24-9-5-8-22(19-24)23-15-16-28-31(20-23)26-10-2-3-11-27(26)32-33(28)37-18-17-36-32/h4-20H,1-3H3;3-20H,1-2H3;2-20H,1H3
InChIKeyLGVHUVVWBSNRQP-UHFFFAOYSA-N
MW1501.80 g/mol
LogP29.36
Rot. Bonds6

About 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine

10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159346875) has the molecular formula C108H72N6O3 and a molecular weight of 1501.80 g/mol. Its IUPAC name is 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID159346875
Molecular FormulaC108H72N6O3
Molecular Weight1501.80 g/mol
Exact Mass1500.57
IUPAC Name10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c2oc3c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)c4)cc(C)cc3c2c1.Cc1ccc2oc3c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)c4)cc(C)cc3c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)c3)cccc12
InChIInChI=1S/C37H26N2O.C36H24N2O.C35H22N2O/c1-21-15-23(3)36-32(17-21)33-18-22(2)16-30(37(33)40-36)26-8-6-7-24(19-26)25-11-12-29-31(20-25)27-9-4-5-10-28(27)34-35(29)39-14-13-38-34;1-21-10-13-33-31(16-21)32-18-22(2)17-29(36(32)39-33)25-7-5-6-23(19-25)24-11-12-28-30(20-24)26-8-3-4-9-27(26)34-35(28)38-15-14-37-34;1-21-7-4-13-29-30-14-6-12-25(35(30)38-34(21)29)24-9-5-8-22(19-24)23-15-16-28-31(20-23)26-10-2-3-11-27(26)32-33(28)37-18-17-36-32/h4-20H,1-3H3;3-20H,1-2H3;2-20H,1H3
InChIKeyLGVHUVVWBSNRQP-UHFFFAOYSA-N
XLogP29.36
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.80
LogP ≤ 529.36
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-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159699923
7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 158322002
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
1-methyl-4-phenyldibenzofuran;1-methyl-6-phenyldibenzofuran;2-(4-methylphenyl)dibenzofuran;2-methyl-4-phenyldibenzofuran;2-methyl-6-phenyldibenzofuran;3-methyl-4-phenyldibenzofuran;3-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzofuran
CID 158562834
3-[3-[3-[2,8-bis(3,5-dimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425369
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 159346875) is 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1cc(C)c2oc3c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)c4)cc(C)cc3c2c1.Cc1ccc2oc3c(-c4cccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)c4)cc(C)cc3c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)c3)cccc12.
What is the InChIKey of 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is LGVHUVVWBSNRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O.C36H24N2O.C35H22N2O/c1-21-15-23(3)36-32(17-21)33-18-22(2)16-30(37(33)40-36)26-8-6-7-24(19-26)25-11-12-29-31(20-25)27-9-4-5-10-28(27)34-35(29)39-14-13-38-34;1-21-10-13-33-31(16-21)32-18-22(2)17-29(36(32)39-33)25-7-5-6-23(19-25)24-11-12-28-30(20-24)26-8-3-4-9-27(26)34-35(28)38-15-14-37-34;1-21-7-4-13-29-30-14-6-12-25(35(30)38-34(21)29)24-9-5-8-22(19-24)23-15-16-28-31(20-23)26-10-2-3-11-27(26)32-33(28)37-18-17-36-32/h4-20H,1-3H3;3-20H,1-2H3;2-20H,1H3.
What are the key properties of 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine?
10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1501.80 g/mol, XLogP of 29.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159346875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).