2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane

C33H37N5 — CID 170152704

IUPAC2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane
SMILESc1ccc(-c2cccc(-c3nc(N4C5CC6CC(C5)CC4C6)nc(N4C5CC6CC(C5)CC4C6)n3)c2)cc1
InChIInChI=1S/C33H37N5/c1-2-5-24(6-3-1)25-7-4-8-26(19-25)31-34-32(37-27-11-20-9-21(13-27)14-28(37)12-20)36-33(35-31)38-29-15-22-10-23(17-29)18-30(38)16-22/h1-8,19-23,27-30H,9-18H2
InChIKeyWIXIQIQFRLTNRS-UHFFFAOYSA-N
MW503.69 g/mol
LogP6.74
Rot. Bonds4

About 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane

2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 170152704) has the molecular formula C33H37N5 and a molecular weight of 503.69 g/mol. Its IUPAC name is 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane
PubChem CID170152704
Molecular FormulaC33H37N5
Molecular Weight503.69 g/mol
Exact Mass503.30
IUPAC Name2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane
SMILESc1ccc(-c2cccc(-c3nc(N4C5CC6CC(C5)CC4C6)nc(N4C5CC6CC(C5)CC4C6)n3)c2)cc1
InChIInChI=1S/C33H37N5/c1-2-5-24(6-3-1)25-7-4-8-26(19-25)31-34-32(37-27-11-20-9-21(13-27)14-28(37)12-20)36-33(35-31)38-29-15-22-10-23(17-29)18-30(38)16-22/h1-8,19-23,27-30H,9-18H2
InChIKeyWIXIQIQFRLTNRS-UHFFFAOYSA-N
XLogP6.74
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152580
9-[4-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152590
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-azatricyclo[3.3.1.13,7]decane
CID 170152624
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(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-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170152600
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
2,4-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane (CID 170152704) is 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane is c1ccc(-c2cccc(-c3nc(N4C5CC6CC(C5)CC4C6)nc(N4C5CC6CC(C5)CC4C6)n3)c2)cc1.
What is the InChIKey of 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is WIXIQIQFRLTNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5/c1-2-5-24(6-3-1)25-7-4-8-26(19-25)31-34-32(37-27-11-20-9-21(13-27)14-28(37)12-20)36-33(35-31)38-29-15-22-10-23(17-29)18-30(38)16-22/h1-8,19-23,27-30H,9-18H2.
What are the key properties of 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane?
2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 503.69 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 170152704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).