8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]

C36H30N4 — CID 167268553

IUPAC8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5cnccc5-4)C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C36H30N4/c1-3-8-24(9-4-1)33-38-34(25-10-5-2-6-11-25)40-35(39-33)30-13-7-12-29-28-14-15-37-21-31(28)36(32(29)30)26-17-22-16-23(19-26)20-27(36)18-22/h1-15,21-23,26-27H,16-20H2
InChIKeyKPVYSLCGASBQTB-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.99
Rot. Bonds3

About 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]

8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine] (PubChem CID 167268553) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine].

Molecular Properties

Compound Name8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
PubChem CID167268553
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC Name8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5cnccc5-4)C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C36H30N4/c1-3-8-24(9-4-1)33-38-34(25-10-5-2-6-11-25)40-35(39-33)30-13-7-12-29-28-14-15-37-21-31(28)36(32(29)30)26-17-22-16-23(19-26)20-27(36)18-22/h1-15,21-23,26-27H,16-20H2
InChIKeyKPVYSLCGASBQTB-UHFFFAOYSA-N
XLogP7.99
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
CID 167268499
5'-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
CID 167270013
2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
CID 156561204
2-[8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798451
7'-[4-(9,9-dimethylfluoren-2-yl)-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
CID 167268719
2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010
4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,2'-adamantane]
CID 167270023
8'-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798674
2-naphthalen-2-yl-4-phenyl-6-[2-(2-spiro[adamantane-2,11'-benzo[a]fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353731
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[a]fluorene]-3'-yl-1,3,5-triazine
CID 167353607
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 167353905
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663

Frequently Asked Questions

What is the IUPAC name of 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]?
The IUPAC name of 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine] (CID 167268553) is 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine].
What is the SMILES notation for 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]?
The canonical SMILES for 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5cnccc5-4)C4CC5CC(C4)CC3C5)n2)cc1.
What is the InChIKey of 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]?
The InChIKey is KPVYSLCGASBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4/c1-3-8-24(9-4-1)33-38-34(25-10-5-2-6-11-25)40-35(39-33)30-13-7-12-29-28-14-15-37-21-31(28)36(32(29)30)26-17-22-16-23(19-26)20-27(36)18-22/h1-15,21-23,26-27H,16-20H2.
What are the key properties of 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]?
8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine] has a molecular weight of 518.66 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine] is sourced from PubChem (CID 167268553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).