3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline

C26H16N6 — CID 146248863

IUPAC3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1cc(-c3ccc(-c4cnc(-c5cnccn5)cn4)cc3)cnc12
InChIInChI=1S/C26H16N6/c1-2-19-7-8-20-12-21(13-32-26(20)25(19)29-9-1)17-3-5-18(6-4-17)22-15-31-24(16-30-22)23-14-27-10-11-28-23/h1-16H
InChIKeyBHPZMJPVHHATJI-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.36
Rot. Bonds3

About 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline

3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 146248863) has the molecular formula C26H16N6 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID146248863
Molecular FormulaC26H16N6
Molecular Weight412.46 g/mol
Exact Mass412.14
IUPAC Name3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1cc(-c3ccc(-c4cnc(-c5cnccn5)cn4)cc3)cnc12
InChIInChI=1S/C26H16N6/c1-2-19-7-8-20-12-21(13-32-26(20)25(19)29-9-1)17-3-5-18(6-4-17)22-15-31-24(16-30-22)23-14-27-10-11-28-23/h1-16H
InChIKeyBHPZMJPVHHATJI-UHFFFAOYSA-N
XLogP5.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.36
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

3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-[6-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-3-pyridinyl]-1,10-phenanthroline
CID 167411895
3-[4-[4-[5-[5-[10-(1,10-phenanthrolin-3-yl)anthracen-9-yl]pyrazin-2-yl]pyrazin-2-yl]phenyl]phenyl]pyrazino[2,3-f]quinoxaline-5,6-dione
CID 146248689
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
CID 171459977
2-(4-naphthalen-2-ylphenyl)-9-[4-(5-pyridin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
CID 134167671
9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
CID 59412911
3-(4-propoxyphenyl)-1,10-phenanthroline
CID 174763082
10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
CID 121368463
3-[3-(1,10-phenanthrolin-3-yl)anthracen-2-yl]-1,10-phenanthroline
CID 170897527
2-[6-(1,10-phenanthrolin-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]-1,10-phenanthroline
CID 146474033
3-[4-[4-(3,5-difluorophenyl)-6-[4-(1,10-phenanthrolin-3-yl)phenyl]-1λ3,3λ3,5λ3-triiodacyclohexa-1,3,5-trien-2-yl]phenyl]-1,10-phenanthroline
CID 163637292

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline (CID 146248863) is 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline is c1cnc2c(c1)ccc1cc(-c3ccc(-c4cnc(-c5cnccn5)cn4)cc3)cnc12.
What is the InChIKey of 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is BHPZMJPVHHATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N6/c1-2-19-7-8-20-12-21(13-32-26(20)25(19)29-9-1)17-3-5-18(6-4-17)22-15-31-24(16-30-22)23-14-27-10-11-28-23/h1-16H.
What are the key properties of 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline?
3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 412.46 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 146248863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).