9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline

C43H27N3 — CID 156574283

IUPAC9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4ccc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C43H27N3/c1-3-11-30(12-4-1)40-37-25-23-31-24-26-38(44-41(31)42(37)46-43(45-40)32-13-5-2-6-14-32)28-19-21-29(22-20-28)39-35-17-9-7-15-33(35)27-34-16-8-10-18-36(34)39/h1-27H
InChIKeyUDNIPVSQMYMVNE-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline

9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline (PubChem CID 156574283) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
PubChem CID156574283
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc4ccc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C43H27N3/c1-3-11-30(12-4-1)40-37-25-23-31-24-26-38(44-41(31)42(37)46-43(45-40)32-13-5-2-6-14-32)28-19-21-29(22-20-28)39-35-17-9-7-15-33(35)27-34-16-8-10-18-36(34)39/h1-27H
InChIKeyUDNIPVSQMYMVNE-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenylbenzo[g]quinoline
CID 139364076
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574290
7-phenyl-2-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 134559520
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
2-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 156545444
2-(2-dibenzofuran-3-yl-4-phenylquinazolin-8-yl)-9-phenyl-1,10-phenanthroline
CID 176785298
2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
CID 176785274
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728

Frequently Asked Questions

What is the IUPAC name of 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline?
The IUPAC name of 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline (CID 156574283) is 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline is c1ccc(-c2nc(-c3ccccc3)c3ccc4ccc(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)nc4c3n2)cc1.
What is the InChIKey of 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline?
The InChIKey is UDNIPVSQMYMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-11-30(12-4-1)40-37-25-23-31-24-26-38(44-41(31)42(37)46-43(45-40)32-13-5-2-6-14-32)28-19-21-29(22-20-28)39-35-17-9-7-15-33(35)27-34-16-8-10-18-36(34)39/h1-27H.
What are the key properties of 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline?
9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 156574283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).