4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C47H35N5 — CID 148755581

IUPAC4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESC1=C(c2ccc(-c3ccc(C4=NC(c5ccccc5)NC(c5ccccc5)=N4)c4ccccc34)cc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C47H35N5/c1-5-15-33(16-6-1)42-31-43(49-44(48-42)35-17-7-2-8-18-35)34-27-25-32(26-28-34)38-29-30-41(40-24-14-13-23-39(38)40)47-51-45(36-19-9-3-10-20-36)50-46(52-47)37-21-11-4-12-22-37/h1-31,44-45,49H,(H,50,51,52)
InChIKeyJNBNOPTWNCTMTO-UHFFFAOYSA-N
MW669.83 g/mol
LogP10.13
Rot. Bonds7

About 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 148755581) has the molecular formula C47H35N5 and a molecular weight of 669.83 g/mol. Its IUPAC name is 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID148755581
Molecular FormulaC47H35N5
Molecular Weight669.83 g/mol
Exact Mass669.29
IUPAC Name4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESC1=C(c2ccc(-c3ccc(C4=NC(c5ccccc5)NC(c5ccccc5)=N4)c4ccccc34)cc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C47H35N5/c1-5-15-33(16-6-1)42-31-43(49-44(48-42)35-17-7-2-8-18-35)34-27-25-32(26-28-34)38-29-30-41(40-24-14-13-23-39(38)40)47-51-45(36-19-9-3-10-20-36)50-46(52-47)37-21-11-4-12-22-37/h1-31,44-45,49H,(H,50,51,52)
InChIKeyJNBNOPTWNCTMTO-UHFFFAOYSA-N
XLogP10.13
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327295
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170277804
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
CID 146647440
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
CID 130392498
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129227953
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine
CID 156553980
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 148755581) is 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is C1=C(c2ccc(-c3ccc(C4=NC(c5ccccc5)NC(c5ccccc5)=N4)c4ccccc34)cc2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is JNBNOPTWNCTMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N5/c1-5-15-33(16-6-1)42-31-43(49-44(48-42)35-17-7-2-8-18-35)34-27-25-32(26-28-34)38-29-30-41(40-24-14-13-23-39(38)40)47-51-45(36-19-9-3-10-20-36)50-46(52-47)37-21-11-4-12-22-37/h1-31,44-45,49H,(H,50,51,52).
What are the key properties of 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 669.83 g/mol, XLogP of 10.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 148755581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).