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

C46H36N8 — CID 121315547

IUPAC2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)CCCCC4)cc3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C46H36N8/c1-4-13-32(14-5-1)40-49-42(52-44(51-40)36-17-12-29-47-31-36)34-19-23-37(24-20-34)46(27-9-3-10-28-46)38-25-21-35(22-26-38)43-50-41(33-15-6-2-7-16-33)53-45(54-43)39-18-8-11-30-48-39/h1-2,4-8,11-26,29-31H,3,9-10,27-28H2
InChIKeyIEOLRKCUBUCYIK-UHFFFAOYSA-N
MW700.85 g/mol
LogP10.10
Rot. Bonds8

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

2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 121315547) has the molecular formula C46H36N8 and a molecular weight of 700.85 g/mol. Its IUPAC name is 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine
PubChem CID121315547
Molecular FormulaC46H36N8
Molecular Weight700.85 g/mol
Exact Mass700.31
IUPAC Name2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)CCCCC4)cc3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C46H36N8/c1-4-13-32(14-5-1)40-49-42(52-44(51-40)36-17-12-29-47-31-36)34-19-23-37(24-20-34)46(27-9-3-10-28-46)38-25-21-35(22-26-38)43-50-41(33-15-6-2-7-16-33)53-45(54-43)39-18-8-11-30-48-39/h1-2,4-8,11-26,29-31H,3,9-10,27-28H2
InChIKeyIEOLRKCUBUCYIK-UHFFFAOYSA-N
XLogP10.10
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine (CID 121315547) is 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)CCCCC4)cc3)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is IEOLRKCUBUCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N8/c1-4-13-32(14-5-1)40-49-42(52-44(51-40)36-17-12-29-47-31-36)34-19-23-37(24-20-34)46(27-9-3-10-28-46)38-25-21-35(22-26-38)43-50-41(33-15-6-2-7-16-33)53-45(54-43)39-18-8-11-30-48-39/h1-2,4-8,11-26,29-31H,3,9-10,27-28H2.
What are the key properties of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine?
2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 700.85 g/mol, XLogP of 10.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[1-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 121315547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).