2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine

C30H29N3 — CID 168805906

IUPAC2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCc1nc(-c2ccc(C3CC4CCC3CC4)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C30H29N3/c1-20-31-29(25-16-14-24(15-17-25)28-18-21-10-12-23(28)13-11-21)33-30(32-20)27-9-5-8-26(19-27)22-6-3-2-4-7-22/h2-9,14-17,19,21,23,28H,10-13,18H2,1H3
InChIKeyOKFWPHDDANAHSW-UHFFFAOYSA-N
MW431.58 g/mol
LogP7.47
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 168805906) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID168805906
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCc1nc(-c2ccc(C3CC4CCC3CC4)cc2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C30H29N3/c1-20-31-29(25-16-14-24(15-17-25)28-18-21-10-12-23(28)13-11-21)33-30(32-20)27-9-5-8-26(19-27)22-6-3-2-4-7-22/h2-9,14-17,19,21,23,28H,10-13,18H2,1H3
InChIKeyOKFWPHDDANAHSW-UHFFFAOYSA-N
XLogP7.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-adamantyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168805773
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 168805906) is 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine is Cc1nc(-c2ccc(C3CC4CCC3CC4)cc2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is OKFWPHDDANAHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3/c1-20-31-29(25-16-14-24(15-17-25)28-18-21-10-12-23(28)13-11-21)33-30(32-20)27-9-5-8-26(19-27)22-6-3-2-4-7-22/h2-9,14-17,19,21,23,28H,10-13,18H2,1H3.
What are the key properties of 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 431.58 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168805906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).