7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C109H74N6O2 — CID 160778575

IUPAC7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c2oc3c(C)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3c2c1.Cc1cccc2c1Cc1c(C)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3c3nccnc43)cc1-2.Cc1cnc2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc3c2n1
InChIInChI=1S/C37H26N2O.C37H26N2.C35H22N2O/c1-21-16-22(2)36-32(17-21)33-20-25(18-23(3)37(33)40-36)27-9-5-4-8-26(27)24-12-13-30-31(19-24)28-10-6-7-11-29(28)34-35(30)39-15-14-38-34;1-22-8-7-13-29-32(22)21-33-23(2)18-25(20-35(29)33)27-10-4-3-9-26(27)24-14-15-31-34(19-24)28-11-5-6-12-30(28)36-37(31)39-17-16-38-36;1-21-20-36-34-28-11-3-2-9-26(28)30-18-24(13-15-29(30)35(34)37-21)22-7-6-8-23(17-22)25-14-16-33-31(19-25)27-10-4-5-12-32(27)38-33/h4-20H,1-3H3;3-20H,21H2,1-2H3;2-20H,1H3
InChIKeySAGURHKMPVWXDV-UHFFFAOYSA-N
MW1499.83 g/mol
LogP29.03
Rot. Bonds6

About 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine

7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 160778575) has the molecular formula C109H74N6O2 and a molecular weight of 1499.83 g/mol. Its IUPAC name is 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID160778575
Molecular FormulaC109H74N6O2
Molecular Weight1499.83 g/mol
Exact Mass1498.59
IUPAC Name7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c2oc3c(C)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3c2c1.Cc1cccc2c1Cc1c(C)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3c3nccnc43)cc1-2.Cc1cnc2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc3c2n1
InChIInChI=1S/C37H26N2O.C37H26N2.C35H22N2O/c1-21-16-22(2)36-32(17-21)33-20-25(18-23(3)37(33)40-36)27-9-5-4-8-26(27)24-12-13-30-31(19-24)28-10-6-7-11-29(28)34-35(30)39-15-14-38-34;1-22-8-7-13-29-32(22)21-33-23(2)18-25(20-35(29)33)27-10-4-3-9-26(27)24-14-15-31-34(19-24)28-11-5-6-12-30(28)36-37(31)39-17-16-38-36;1-21-20-36-34-28-11-3-2-9-26(28)30-18-24(13-15-29(30)35(34)37-21)22-7-6-8-23(17-22)25-14-16-33-31(19-25)27-10-4-5-12-32(27)38-33/h4-20H,1-3H3;3-20H,21H2,1-2H3;2-20H,1H3
InChIKeySAGURHKMPVWXDV-UHFFFAOYSA-N
XLogP29.03
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.83
LogP ≤ 529.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 160778575) is 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1cc(C)c2oc3c(C)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3c2c1.Cc1cccc2c1Cc1c(C)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3c3nccnc43)cc1-2.Cc1cnc2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc3c2n1.
What is the InChIKey of 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is SAGURHKMPVWXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O.C37H26N2.C35H22N2O/c1-21-16-22(2)36-32(17-21)33-20-25(18-23(3)37(33)40-36)27-9-5-4-8-26(27)24-12-13-30-31(19-24)28-10-6-7-11-29(28)34-35(30)39-15-14-38-34;1-22-8-7-13-29-32(22)21-33-23(2)18-25(20-35(29)33)27-10-4-3-9-26(27)24-14-15-31-34(19-24)28-11-5-6-12-30(28)36-37(31)39-17-16-38-36;1-21-20-36-34-28-11-3-2-9-26(28)30-18-24(13-15-29(30)35(34)37-21)22-7-6-8-23(17-22)25-14-16-33-31(19-25)27-10-4-5-12-32(27)38-33/h4-20H,1-3H3;3-20H,21H2,1-2H3;2-20H,1H3.
What are the key properties of 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1499.83 g/mol, XLogP of 29.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(1,8-dimethyl-9H-fluoren-3-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 160778575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).