7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine

C40H24N2O2 — CID 169291462

IUPAC7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine
SMILESc1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)Oc2nccnc2O3)c1
InChIInChI=1S/C40H24N2O2/c1-2-10-33-31(8-1)32-9-3-4-11-34(32)36-23-29(16-18-35(33)36)26-14-12-25(13-15-26)27-6-5-7-28(22-27)30-17-19-37-38(24-30)44-40-39(43-37)41-20-21-42-40/h1-24H
InChIKeyYFGIDRBWXINNJD-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.84
Rot. Bonds3

About 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine

7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine (PubChem CID 169291462) has the molecular formula C40H24N2O2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine.

Molecular Properties

Compound Name7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine
PubChem CID169291462
Molecular FormulaC40H24N2O2
Molecular Weight564.64 g/mol
Exact Mass564.18
IUPAC Name7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine
SMILESc1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)Oc2nccnc2O3)c1
InChIInChI=1S/C40H24N2O2/c1-2-10-33-31(8-1)32-9-3-4-11-34(32)36-23-29(16-18-35(33)36)26-14-12-25(13-15-26)27-6-5-7-28(22-27)30-17-19-37-38(24-30)44-40-39(43-37)41-20-21-42-40/h1-24H
InChIKeyYFGIDRBWXINNJD-UHFFFAOYSA-N
XLogP10.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 137389670
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine?
The IUPAC name of 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine (CID 169291462) is 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine.
What is the SMILES notation for 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine?
The canonical SMILES for 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine is c1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)Oc2nccnc2O3)c1.
What is the InChIKey of 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine?
The InChIKey is YFGIDRBWXINNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O2/c1-2-10-33-31(8-1)32-9-3-4-11-34(32)36-23-29(16-18-35(33)36)26-14-12-25(13-15-26)27-6-5-7-28(22-27)30-17-19-37-38(24-30)44-40-39(43-37)41-20-21-42-40/h1-24H.
What are the key properties of 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine?
7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine has a molecular weight of 564.64 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine is sourced from PubChem (CID 169291462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).