4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine

C43H31N3 — CID 121477675

IUPAC4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccc(-c3cccnc3)cc2)NC(c2ccc(-c3ccccc3)cc2)=NC1c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C43H31N3/c1-2-8-30(9-3-1)32-17-22-35(23-18-32)43-45-41(34-20-15-33(16-21-34)40-14-7-25-44-29-40)28-42(46-43)39-13-6-12-37(27-39)38-24-19-31-10-4-5-11-36(31)26-38/h1-29,42H,(H,45,46)
InChIKeySWCBWXZWAHVWHO-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.37
Rot. Bonds6

About 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine

4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 121477675) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
PubChem CID121477675
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccc(-c3cccnc3)cc2)NC(c2ccc(-c3ccccc3)cc2)=NC1c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C43H31N3/c1-2-8-30(9-3-1)32-17-22-35(23-18-32)43-45-41(34-20-15-33(16-21-34)40-14-7-25-44-29-40)28-42(46-43)39-13-6-12-37(27-39)38-24-19-31-10-4-5-11-36(31)26-38/h1-29,42H,(H,45,46)
InChIKeySWCBWXZWAHVWHO-UHFFFAOYSA-N
XLogP10.37
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
CID 163727041
4-[4-[4-(4-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]isoquinoline
CID 121384306
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
CID 162124430
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
CID 145302608
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
N'-(4,6-diphenylpyrimidin-2-yl)-1-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]methanediamine
CID 145390184
8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline
CID 145384087
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine (CID 121477675) is 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine is C1=C(c2ccc(-c3cccnc3)cc2)NC(c2ccc(-c3ccccc3)cc2)=NC1c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is SWCBWXZWAHVWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-2-8-30(9-3-1)32-17-22-35(23-18-32)43-45-41(34-20-15-33(16-21-34)40-14-7-25-44-29-40)28-42(46-43)39-13-6-12-37(27-39)38-24-19-31-10-4-5-11-36(31)26-38/h1-29,42H,(H,45,46).
What are the key properties of 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine?
4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine has a molecular weight of 589.74 g/mol, XLogP of 10.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 121477675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).