8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

C45H36N6 — CID 59747246

IUPAC8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)n3)cc2-c2ncccc21
InChIInChI=1S/C45H36N6/c1-43(2)31-16-13-25(22-28(31)37-34(43)10-7-19-46-37)40-49-41(26-14-17-32-29(23-26)38-35(44(32,3)4)11-8-20-47-38)51-42(50-40)27-15-18-33-30(24-27)39-36(45(33,5)6)12-9-21-48-39/h7-24H,1-6H3
InChIKeyCIFYLUVFNHPBSH-UHFFFAOYSA-N
MW660.83 g/mol
LogP9.98
Rot. Bonds3

About 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747246) has the molecular formula C45H36N6 and a molecular weight of 660.83 g/mol. Its IUPAC name is 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747246
Molecular FormulaC45H36N6
Molecular Weight660.83 g/mol
Exact Mass660.30
IUPAC Name8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)n3)cc2-c2ncccc21
InChIInChI=1S/C45H36N6/c1-43(2)31-16-13-25(22-28(31)37-34(43)10-7-19-46-37)40-49-41(26-14-17-32-29(23-26)38-35(44(32,3)4)11-8-20-47-38)51-42(50-40)27-15-18-33-30(24-27)39-36(45(33,5)6)12-9-21-48-39/h7-24H,1-6H3
InChIKeyCIFYLUVFNHPBSH-UHFFFAOYSA-N
XLogP9.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.83
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]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

8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747283
2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292703
2-(9,9-dimethylfluoren-3-yl)-4-methyl-6-phenyl-1,3,5-triazine
CID 168805901
8-bromo-5,5-dimethylindeno[1,2-b]pyridine;5-fluoro-2,8-diphenylbenzo[b][1]benzoborole
CID 160505181
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59747241
2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59845241
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 142504737
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747246) is 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccc(-c3nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)n3)cc2-c2ncccc21.
What is the InChIKey of 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is CIFYLUVFNHPBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N6/c1-43(2)31-16-13-25(22-28(31)37-34(43)10-7-19-46-37)40-49-41(26-14-17-32-29(23-26)38-35(44(32,3)4)11-8-20-47-38)51-42(50-40)27-15-18-33-30(24-27)39-36(45(33,5)6)12-9-21-48-39/h7-24H,1-6H3.
What are the key properties of 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 660.83 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).