1-phenylphenanthrene;pyrazine

C24H18N2 — CID 175377735

IUPAC1-phenylphenanthrene;pyrazine
SMILESc1ccc(-c2cccc3c2ccc2ccccc23)cc1.c1cnccn1
InChIInChI=1S/C20H14.C4H4N2/c1-2-7-15(8-3-1)18-11-6-12-19-17-10-5-4-9-16(17)13-14-20(18)19;1-2-6-4-3-5-1/h1-14H;1-4H
InChIKeyYEUWAOFWTBQGHR-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.14
Rot. Bonds1

About 1-phenylphenanthrene;pyrazine

1-phenylphenanthrene;pyrazine (PubChem CID 175377735) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-phenylphenanthrene;pyrazine.

Molecular Properties

Compound Name1-phenylphenanthrene;pyrazine
PubChem CID175377735
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name1-phenylphenanthrene;pyrazine
SMILESc1ccc(-c2cccc3c2ccc2ccccc23)cc1.c1cnccn1
InChIInChI=1S/C20H14.C4H4N2/c1-2-7-15(8-3-1)18-11-6-12-19-17-10-5-4-9-16(17)13-14-20(18)19;1-2-6-4-3-5-1/h1-14H;1-4H
InChIKeyYEUWAOFWTBQGHR-UHFFFAOYSA-N
XLogP6.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
1-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174289560
11-phenylbenzo[a]anthracene
CID 123665695
1,4,5,8-tetradeuterio-9-(4-phenanthren-1-ylphenyl)-10-phenylanthracene
CID 170654170
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
CID 177108224
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748

Frequently Asked Questions

What is the IUPAC name of 1-phenylphenanthrene;pyrazine?
The IUPAC name of 1-phenylphenanthrene;pyrazine (CID 175377735) is 1-phenylphenanthrene;pyrazine.
What is the SMILES notation for 1-phenylphenanthrene;pyrazine?
The canonical SMILES for 1-phenylphenanthrene;pyrazine is c1ccc(-c2cccc3c2ccc2ccccc23)cc1.c1cnccn1.
What is the InChIKey of 1-phenylphenanthrene;pyrazine?
The InChIKey is YEUWAOFWTBQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C4H4N2/c1-2-7-15(8-3-1)18-11-6-12-19-17-10-5-4-9-16(17)13-14-20(18)19;1-2-6-4-3-5-1/h1-14H;1-4H.
What are the key properties of 1-phenylphenanthrene;pyrazine?
1-phenylphenanthrene;pyrazine has a molecular weight of 334.42 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylphenanthrene;pyrazine is sourced from PubChem (CID 175377735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).