2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline

C27H16BrN3 — CID 156577305

IUPAC2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline
SMILESBrc1nc(-c2cccc3ccccc23)c2ccc3ccc(-c4ccccc4)nc3c2n1
InChIInChI=1S/C27H16BrN3/c28-27-30-25(21-12-6-10-17-7-4-5-11-20(17)21)22-15-13-19-14-16-23(18-8-2-1-3-9-18)29-24(19)26(22)31-27/h1-16H
InChIKeyONHGGDZNVMPEPR-UHFFFAOYSA-N
MW462.35 g/mol
LogP7.43
Rot. Bonds2

About 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline

2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline (PubChem CID 156577305) has the molecular formula C27H16BrN3 and a molecular weight of 462.35 g/mol. Its IUPAC name is 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline
PubChem CID156577305
Molecular FormulaC27H16BrN3
Molecular Weight462.35 g/mol
Exact Mass461.05
IUPAC Name2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline
SMILESBrc1nc(-c2cccc3ccccc23)c2ccc3ccc(-c4ccccc4)nc3c2n1
InChIInChI=1S/C27H16BrN3/c28-27-30-25(21-12-6-10-17-7-4-5-11-20(17)21)22-15-13-19-14-16-23(18-8-2-1-3-9-18)29-24(19)26(22)31-27/h1-16H
InChIKeyONHGGDZNVMPEPR-UHFFFAOYSA-N
XLogP7.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]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-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-(3-acridin-9-ylphenyl)-9-(3-naphthalen-1-ylphenyl)-1,10-phenanthroline
CID 134167787
iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
9-naphthalen-1-yl-2-[4-[2-[4-(9-naphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 59010410
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-4-amine
CID 171055000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline?
The IUPAC name of 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline (CID 156577305) is 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline is Brc1nc(-c2cccc3ccccc23)c2ccc3ccc(-c4ccccc4)nc3c2n1.
What is the InChIKey of 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline?
The InChIKey is ONHGGDZNVMPEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16BrN3/c28-27-30-25(21-12-6-10-17-7-4-5-11-20(17)21)22-15-13-19-14-16-23(18-8-2-1-3-9-18)29-24(19)26(22)31-27/h1-16H.
What are the key properties of 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline?
2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline has a molecular weight of 462.35 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-naphthalen-1-yl-9-phenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 156577305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).