2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine

C23H14BrN3 — CID 139327751

IUPAC2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine
SMILESBrc1ccc2cc(-c3nc(-c4ccccc4)c4cccnc4n3)ccc2c1
InChIInChI=1S/C23H14BrN3/c24-19-11-10-16-13-18(9-8-17(16)14-19)22-26-21(15-5-2-1-3-6-15)20-7-4-12-25-23(20)27-22/h1-14H
InChIKeyLCXVTTVWLMRMSS-UHFFFAOYSA-N
MW412.29 g/mol
LogP6.27
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine

2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine (PubChem CID 139327751) has the molecular formula C23H14BrN3 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine
PubChem CID139327751
Molecular FormulaC23H14BrN3
Molecular Weight412.29 g/mol
Exact Mass411.04
IUPAC Name2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine
SMILESBrc1ccc2cc(-c3nc(-c4ccccc4)c4cccnc4n3)ccc2c1
InChIInChI=1S/C23H14BrN3/c24-19-11-10-16-13-18(9-8-17(16)14-19)22-26-21(15-5-2-1-3-6-15)20-7-4-12-25-23(20)27-22/h1-14H
InChIKeyLCXVTTVWLMRMSS-UHFFFAOYSA-N
XLogP6.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362366
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine
CID 149383621
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187
2-(4-bromophenyl)-4-phenyl-1,8-naphthyridine
CID 118491241
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
CID 142519146
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
2-(3-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidine;2-(3-bromophenyl)-4-naphthalen-1-ylpyrido[3,2-d]pyrimidine;2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine;2-(3-bromophenyl)-4-(3-phenylphenyl)pyrido[3,2-d]pyrimidine
CID 160503646
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine (CID 139327751) is 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine is Brc1ccc2cc(-c3nc(-c4ccccc4)c4cccnc4n3)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine?
The InChIKey is LCXVTTVWLMRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN3/c24-19-11-10-16-13-18(9-8-17(16)14-19)22-26-21(15-5-2-1-3-6-15)20-7-4-12-25-23(20)27-22/h1-14H.
What are the key properties of 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine?
2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine has a molecular weight of 412.29 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 139327751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).