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

C47H37N3 — CID 121315629

IUPAC2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C47H37N3/c1-3-14-36(15-4-1)44-48-45(50-46(49-44)43-19-11-17-35-13-7-8-18-42(35)43)37-24-28-41(29-25-37)47(30-9-2-10-31-47)40-26-22-34(23-27-40)39-21-20-33-12-5-6-16-38(33)32-39/h1,3-8,11-29,32H,2,9-10,30-31H2
InChIKeyPKKMUIOXSJOQAN-UHFFFAOYSA-N
MW643.83 g/mol
LogP12.10
Rot. Bonds6

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

2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 121315629) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID121315629
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C47H37N3/c1-3-14-36(15-4-1)44-48-45(50-46(49-44)43-19-11-17-35-13-7-8-18-42(35)43)37-24-28-41(29-25-37)47(30-9-2-10-31-47)40-26-22-34(23-27-40)39-21-20-33-12-5-6-16-38(33)32-39/h1,3-8,11-29,32H,2,9-10,30-31H2
InChIKeyPKKMUIOXSJOQAN-UHFFFAOYSA-N
XLogP12.10
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 ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 130392354
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
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-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176628692

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (CID 121315629) is 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is PKKMUIOXSJOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-3-14-36(15-4-1)44-48-45(50-46(49-44)43-19-11-17-35-13-7-8-18-42(35)43)37-24-28-41(29-25-37)47(30-9-2-10-31-47)40-26-22-34(23-27-40)39-21-20-33-12-5-6-16-38(33)32-39/h1,3-8,11-29,32H,2,9-10,30-31H2.
What are the key properties of 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 643.83 g/mol, XLogP of 12.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 121315629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).