2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

C47H33N3 — CID 174360054

IUPAC2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3ccccc3)c3ccccc23)=CC(c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccccc5)ccc4c3)n2)C1
InChIInChI=1S/C47H33N3/c1-4-13-32(14-5-1)35-23-24-37-30-40(26-25-36(37)29-35)47-49-45(34-17-8-3-9-18-34)48-46(50-47)39-20-12-19-38(31-39)42-28-27-41(33-15-6-2-7-16-33)43-21-10-11-22-44(42)43/h1-19,21-31,39H,20H2
InChIKeyNVZWFRHIHZTJCS-UHFFFAOYSA-N
MW639.80 g/mol
LogP11.97
Rot. Bonds6

About 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (PubChem CID 174360054) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
PubChem CID174360054
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3ccccc3)c3ccccc23)=CC(c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccccc5)ccc4c3)n2)C1
InChIInChI=1S/C47H33N3/c1-4-13-32(14-5-1)35-23-24-37-30-40(26-25-36(37)29-35)47-49-45(34-17-8-3-9-18-34)48-46(50-47)39-20-12-19-38(31-39)42-28-27-41(33-15-6-2-7-16-33)43-21-10-11-22-44(42)43/h1-19,21-31,39H,20H2
InChIKeyNVZWFRHIHZTJCS-UHFFFAOYSA-N
XLogP11.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
11-[4-[4-(3-phenylcyclohexa-2,4-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 158093263
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
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
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632523
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165012434
2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157258126
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (CID 174360054) is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is C1=CC(c2ccc(-c3ccccc3)c3ccccc23)=CC(c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccccc5)ccc4c3)n2)C1.
What is the InChIKey of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The InChIKey is NVZWFRHIHZTJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-4-13-32(14-5-1)35-23-24-37-30-40(26-25-36(37)29-35)47-49-45(34-17-8-3-9-18-34)48-46(50-47)39-20-12-19-38(31-39)42-28-27-41(33-15-6-2-7-16-33)43-21-10-11-22-44(42)43/h1-19,21-31,39H,20H2.
What are the key properties of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine has a molecular weight of 639.80 g/mol, XLogP of 11.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is sourced from PubChem (CID 174360054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).