9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline

C43H27N5 — CID 163701892

IUPAC9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4ccc5c(-c6ccccn6)nc(-c6ccccc6)nc5c4c3)n2)cc1
InChIInChI=1S/C43H27N5/c1-3-13-30(14-4-1)38-27-39(34-19-11-17-28-12-7-8-18-33(28)34)46-43(45-38)32-22-21-29-23-24-35-40(36(29)26-32)47-42(31-15-5-2-6-16-31)48-41(35)37-20-9-10-25-44-37/h1-27H
InChIKeyKBSSTQPYYYOEAG-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.46
Rot. Bonds5

About 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline

9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline (PubChem CID 163701892) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
PubChem CID163701892
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4ccc5c(-c6ccccn6)nc(-c6ccccc6)nc5c4c3)n2)cc1
InChIInChI=1S/C43H27N5/c1-3-13-30(14-4-1)38-27-39(34-19-11-17-28-12-7-8-18-33(28)34)46-43(45-38)32-22-21-29-23-24-35-40(36(29)26-32)47-42(31-15-5-2-6-16-31)48-41(35)37-20-9-10-25-44-37/h1-27H
InChIKeyKBSSTQPYYYOEAG-UHFFFAOYSA-N
XLogP10.46
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[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

9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
9-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 155364563
2-[3-(6-naphthalen-1-yl-3-pyridinyl)-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenylbenzo[h]quinazoline
CID 118552233
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2,4-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[h]quinazoline
CID 155364604
9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-pyridin-2-ylpyrimidin-2-yl]phenyl]-2,4-diphenylbenzo[h]quinazoline
CID 147835718
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610
2-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 118313976
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 159959280
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;4-naphthalen-2-yl-6-phenanthren-9-yl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 162204163

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline?
The IUPAC name of 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline (CID 163701892) is 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline?
The canonical SMILES for 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4ccc5c(-c6ccccn6)nc(-c6ccccc6)nc5c4c3)n2)cc1.
What is the InChIKey of 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline?
The InChIKey is KBSSTQPYYYOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-13-30(14-4-1)38-27-39(34-19-11-17-28-12-7-8-18-33(28)34)46-43(45-38)32-22-21-29-23-24-35-40(36(29)26-32)47-42(31-15-5-2-6-16-31)48-41(35)37-20-9-10-25-44-37/h1-27H.
What are the key properties of 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline?
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline has a molecular weight of 613.72 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 163701892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).