4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine

C40H27N5 — CID 129256990

IUPAC4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc(-c6ncn(-c7ccccc7)n6)cc5)ccc4c3)n2)cc1
InChIInChI=1S/C40H27N5/c1-4-10-29(11-5-1)37-26-38(30-12-6-2-7-13-30)43-40(42-37)35-23-22-33-24-32(20-21-34(33)25-35)28-16-18-31(19-17-28)39-41-27-45(44-39)36-14-8-3-9-15-36/h1-27H
InChIKeyUZNQZHQPFHUMRH-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.55
Rot. Bonds6

About 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine

4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine (PubChem CID 129256990) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine
PubChem CID129256990
Molecular FormulaC40H27N5
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC Name4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc(-c6ncn(-c7ccccc7)n6)cc5)ccc4c3)n2)cc1
InChIInChI=1S/C40H27N5/c1-4-10-29(11-5-1)37-26-38(30-12-6-2-7-13-30)43-40(42-37)35-23-22-33-24-32(20-21-34(33)25-35)28-16-18-31(19-17-28)39-41-27-45(44-39)36-14-8-3-9-15-36/h1-27H
InChIKeyUZNQZHQPFHUMRH-UHFFFAOYSA-N
XLogP9.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121338958
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine (CID 129256990) is 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc(-c6ncn(-c7ccccc7)n6)cc5)ccc4c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine?
The InChIKey is UZNQZHQPFHUMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-4-10-29(11-5-1)37-26-38(30-12-6-2-7-13-30)43-40(42-37)35-23-22-33-24-32(20-21-34(33)25-35)28-16-18-31(19-17-28)39-41-27-45(44-39)36-14-8-3-9-15-36/h1-27H.
What are the key properties of 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine?
4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine has a molecular weight of 577.69 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[6-[4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 129256990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).