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

C37H26N4 — CID 167269648

IUPAC2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc21
InChIInChI=1S/C37H26N4/c1-37(2)30-20-8-7-17-29(30)33-31(37)21-22-32(38-33)36-40-34(27-18-9-13-23-11-3-5-15-25(23)27)39-35(41-36)28-19-10-14-24-12-4-6-16-26(24)28/h3-22H,1-2H3
InChIKeyDTBFQBNNSAVHHR-UHFFFAOYSA-N
MW526.64 g/mol
LogP8.88
Rot. Bonds3

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

2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 167269648) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID167269648
Molecular FormulaC37H26N4
Molecular Weight526.64 g/mol
Exact Mass526.22
IUPAC Name2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc21
InChIInChI=1S/C37H26N4/c1-37(2)30-20-8-7-17-29(30)33-31(37)21-22-32(38-33)36-40-34(27-18-9-13-23-11-3-5-15-25(23)27)39-35(41-36)28-19-10-14-24-12-4-6-16-26(24)28/h3-22H,1-2H3
InChIKeyDTBFQBNNSAVHHR-UHFFFAOYSA-N
XLogP8.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine with MolForge

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Related Compounds

5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
5,5-dimethyl-2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine
CID 59845146
2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
CID 59747125
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-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319046
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
2-(14,14-dimethyl-9-methylidene-7-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 134218057

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine (CID 167269648) is 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2nc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc21.
What is the InChIKey of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is DTBFQBNNSAVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-37(2)30-20-8-7-17-29(30)33-31(37)21-22-32(38-33)36-40-34(27-18-9-13-23-11-3-5-15-25(23)27)39-35(41-36)28-19-10-14-24-12-4-6-16-26(24)28/h3-22H,1-2H3.
What are the key properties of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine?
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 526.64 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 167269648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).