2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine

C56H44N6 — CID 58233303

IUPAC2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1C3(C)C
InChIInChI=1S/C56H44N6/c1-33-27-39(53-59-49(35-19-11-7-12-20-35)57-50(60-53)36-21-13-8-14-22-36)29-45-47(33)41-31-44-42(32-43(41)55(45,3)4)48-34(2)28-40(30-46(48)56(44,5)6)54-61-51(37-23-15-9-16-24-37)58-52(62-54)38-25-17-10-18-26-38/h7-32H,1-6H3
InChIKeyZKIFUDLBZWIDBQ-UHFFFAOYSA-N
MW801.01 g/mol
LogP13.29
Rot. Bonds6

About 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine

2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58233303) has the molecular formula C56H44N6 and a molecular weight of 801.01 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58233303
Molecular FormulaC56H44N6
Molecular Weight801.01 g/mol
Exact Mass800.36
IUPAC Name2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1C3(C)C
InChIInChI=1S/C56H44N6/c1-33-27-39(53-59-49(35-19-11-7-12-20-35)57-50(60-53)36-21-13-8-14-22-36)29-45-47(33)41-31-44-42(32-43(41)55(45,3)4)48-34(2)28-40(30-46(48)56(44,5)6)54-61-51(37-23-15-9-16-24-37)58-52(62-54)38-25-17-10-18-26-38/h7-32H,1-6H3
InChIKeyZKIFUDLBZWIDBQ-UHFFFAOYSA-N
XLogP13.29
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine (CID 58233303) is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1C3(C)C.
What is the InChIKey of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZKIFUDLBZWIDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N6/c1-33-27-39(53-59-49(35-19-11-7-12-20-35)57-50(60-53)36-21-13-8-14-22-36)29-45-47(33)41-31-44-42(32-43(41)55(45,3)4)48-34(2)28-40(30-46(48)56(44,5)6)54-61-51(37-23-15-9-16-24-37)58-52(62-54)38-25-17-10-18-26-38/h7-32H,1-6H3.
What are the key properties of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 801.01 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluoren-8-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58233303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).