2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

C47H37N3 — CID 174244255

IUPAC2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc(-c6cccc7ccccc67)cc(C6CCCCC6)c5)ccc4c3)n2)cc1
InChIInChI=1S/C47H37N3/c1-4-13-32(14-5-1)40-29-41(31-42(30-40)44-22-12-20-33-15-10-11-21-43(33)44)38-24-23-37-28-39(26-25-36(37)27-38)47-49-45(34-16-6-2-7-17-34)48-46(50-47)35-18-8-3-9-19-35/h2-3,6-12,15-32H,1,4-5,13-14H2
InChIKeyXXYCSTFTZSJEAF-UHFFFAOYSA-N
MW643.83 g/mol
LogP12.56
Rot. Bonds6

About 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 174244255) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID174244255
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc(-c6cccc7ccccc67)cc(C6CCCCC6)c5)ccc4c3)n2)cc1
InChIInChI=1S/C47H37N3/c1-4-13-32(14-5-1)40-29-41(31-42(30-40)44-22-12-20-33-15-10-11-21-43(33)44)38-24-23-37-28-39(26-25-36(37)27-38)47-49-45(34-16-6-2-7-17-34)48-46(50-47)35-18-8-3-9-19-35/h2-3,6-12,15-32H,1,4-5,13-14H2
InChIKeyXXYCSTFTZSJEAF-UHFFFAOYSA-N
XLogP12.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439517
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 168843560
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165099696
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158640936
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162132064

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 174244255) is 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc(-c6cccc7ccccc67)cc(C6CCCCC6)c5)ccc4c3)n2)cc1.
What is the InChIKey of 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XXYCSTFTZSJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-4-13-32(14-5-1)40-29-41(31-42(30-40)44-22-12-20-33-15-10-11-21-43(33)44)38-24-23-37-28-39(26-25-36(37)27-38)47-49-45(34-16-6-2-7-17-34)48-46(50-47)35-18-8-3-9-19-35/h2-3,6-12,15-32H,1,4-5,13-14H2.
What are the key properties of 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 643.83 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 174244255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).