2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine

C38H24N6 — CID 20720410

IUPAC2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine
SMILESCc1nc2c3ccccc3c3ccccc3c2nc1-c1cnc(-c2nc3c4ccccc4c4ccccc4c3nc2C)cn1
InChIInChI=1S/C38H24N6/c1-21-33(43-37-29-17-9-5-13-25(29)23-11-3-7-15-27(23)35(37)41-21)31-19-40-32(20-39-31)34-22(2)42-36-28-16-8-4-12-24(28)26-14-6-10-18-30(26)38(36)44-34/h3-20H,1-2H3
InChIKeyWNPYNTBZNLIAOA-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.93
Rot. Bonds2

About 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine

2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 20720410) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine
PubChem CID20720410
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine
SMILESCc1nc2c3ccccc3c3ccccc3c2nc1-c1cnc(-c2nc3c4ccccc4c4ccccc4c3nc2C)cn1
InChIInChI=1S/C38H24N6/c1-21-33(43-37-29-17-9-5-13-25(29)23-11-3-7-15-27(23)35(37)41-21)31-19-40-32(20-39-31)34-22(2)42-36-28-16-8-4-12-24(28)26-14-6-10-18-30(26)38(36)44-34/h3-20H,1-2H3
InChIKeyWNPYNTBZNLIAOA-UHFFFAOYSA-N
XLogP8.93
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline
CID 1318
4,7-Diphenyl-1,10-phenanthroline
CID 72812
Bathocuproine
CID 65149
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
5,6-Dimethyl-1,10-phenanthroline
CID 76357
2-Methyl-1,10-phenanthroline
CID 4913356
AG1295
CID 2048
2,3-Dipyridyl-6,7-dimethylquinoxaline
CID 81109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine (CID 20720410) is 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine is Cc1nc2c3ccccc3c3ccccc3c2nc1-c1cnc(-c2nc3c4ccccc4c4ccccc4c3nc2C)cn1.
What is the InChIKey of 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is WNPYNTBZNLIAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-21-33(43-37-29-17-9-5-13-25(29)23-11-3-7-15-27(23)35(37)41-21)31-19-40-32(20-39-31)34-22(2)42-36-28-16-8-4-12-24(28)26-14-6-10-18-30(26)38(36)44-34/h3-20H,1-2H3.
What are the key properties of 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine?
2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 564.65 g/mol, XLogP of 8.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 20720410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).