8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline

C38H24N6 — CID 147295940

IUPAC8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline
SMILESc1ccc(-c2cc(-c3ncc4c(n3)c(-c3ccccc3)c(-c3ccccc3)c3nccnc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C38H24N6/c1-5-13-25(14-6-1)30-23-31(43-37(42-30)28-19-11-4-12-20-28)38-41-24-29-34(44-38)32(26-15-7-2-8-16-26)33(27-17-9-3-10-18-27)36-35(29)39-21-22-40-36/h1-24H
InChIKeyCVCVCHUSTKGYCD-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.70
Rot. Bonds5

About 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline

8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline (PubChem CID 147295940) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline.

Molecular Properties

Compound Name8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline
PubChem CID147295940
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline
SMILESc1ccc(-c2cc(-c3ncc4c(n3)c(-c3ccccc3)c(-c3ccccc3)c3nccnc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C38H24N6/c1-5-13-25(14-6-1)30-23-31(43-37(42-30)28-19-11-4-12-20-28)38-41-24-29-34(44-38)32(26-15-7-2-8-16-26)33(27-17-9-3-10-18-27)36-35(29)39-21-22-40-36/h1-24H
InChIKeyCVCVCHUSTKGYCD-UHFFFAOYSA-N
XLogP8.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
CID 126706239
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 155765285
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenylbenzo[g]quinoline
CID 139364076
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
CID 137052789
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline?
The IUPAC name of 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline (CID 147295940) is 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline.
What is the SMILES notation for 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline?
The canonical SMILES for 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline is c1ccc(-c2cc(-c3ncc4c(n3)c(-c3ccccc3)c(-c3ccccc3)c3nccnc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline?
The InChIKey is CVCVCHUSTKGYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-5-13-25(14-6-1)30-23-31(43-37(42-30)28-19-11-4-12-20-28)38-41-24-29-34(44-38)32(26-15-7-2-8-16-26)33(27-17-9-3-10-18-27)36-35(29)39-21-22-40-36/h1-24H.
What are the key properties of 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline?
8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline has a molecular weight of 564.65 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline is sourced from PubChem (CID 147295940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).