2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine

C50H37N3 — CID 146646764

IUPAC2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
SMILESCC1C(c2ccccc2)=NC(c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccccc34)cc2)=NC1c1ccccc1
InChIInChI=1S/C50H37N3/c1-34-48(38-20-10-4-11-21-38)52-50(53-49(34)39-22-12-5-13-23-39)40-28-26-35(27-29-40)42-30-31-43(45-25-15-14-24-44(42)45)41-32-46(36-16-6-2-7-17-36)51-47(33-41)37-18-8-3-9-19-37/h2-34,48H,1H3
InChIKeyOPNFHXSLCHOXAA-UHFFFAOYSA-N
MW679.87 g/mol
LogP12.53
Rot. Bonds7

About 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine

2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine (PubChem CID 146646764) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
PubChem CID146646764
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
SMILESCC1C(c2ccccc2)=NC(c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccccc34)cc2)=NC1c1ccccc1
InChIInChI=1S/C50H37N3/c1-34-48(38-20-10-4-11-21-38)52-50(53-49(34)39-22-12-5-13-23-39)40-28-26-35(27-29-40)42-30-31-43(45-25-15-14-24-44(42)45)41-32-46(36-16-6-2-7-17-36)51-47(33-41)37-18-8-3-9-19-37/h2-34,48H,1H3
InChIKeyOPNFHXSLCHOXAA-UHFFFAOYSA-N
XLogP12.53
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine with MolForge

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Related Compounds

2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
6-[3-(4-dibenzofuran-3-yl-5-methyl-2-phenyl-4,5-dihydropyrimidin-6-yl)-5-quinolin-6-ylphenyl]quinoline
CID 154950020
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998
ethane;2,4,5-triphenyl-4H-imidazole
CID 158444509
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
5-[4-(5-ethyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole
CID 154982215
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094
2-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165089367
7,7-dimethyl-5-[4-(5-methyl-4,6-diphenyl-4,5-dihydropyrimidin-2-yl)dibenzothiophen-2-yl]-3-phenylindeno[2,1-b]carbazole
CID 145238301
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 168779406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
The IUPAC name of 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine (CID 146646764) is 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine.
What is the SMILES notation for 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
The canonical SMILES for 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine is CC1C(c2ccccc2)=NC(c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccccc34)cc2)=NC1c1ccccc1.
What is the InChIKey of 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
The InChIKey is OPNFHXSLCHOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-34-48(38-20-10-4-11-21-38)52-50(53-49(34)39-22-12-5-13-23-39)40-28-26-35(27-29-40)42-30-31-43(45-25-15-14-24-44(42)45)41-32-46(36-16-6-2-7-17-36)51-47(33-41)37-18-8-3-9-19-37/h2-34,48H,1H3.
What are the key properties of 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine?
2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine has a molecular weight of 679.87 g/mol, XLogP of 12.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine is sourced from PubChem (CID 146646764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).