5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol

C48H36N4O — CID 136502741

IUPAC5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(O)c4ncccc24)cc1C3(C)C
InChIInChI=1S/C48H36N4O/c1-47(2)38-24-30(32-21-22-42(53)43-35(32)16-11-23-49-43)17-19-33(38)36-26-41-37(27-40(36)47)34-20-18-31(25-39(34)48(41,3)4)46-51-44(28-12-7-5-8-13-28)50-45(52-46)29-14-9-6-10-15-29/h5-27,53H,1-4H3
InChIKeyDXBAHUFNSLQTOO-UHFFFAOYSA-N
MW684.84 g/mol
LogP11.41
Rot. Bonds4

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol (PubChem CID 136502741) has the molecular formula C48H36N4O and a molecular weight of 684.84 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol
PubChem CID136502741
Molecular FormulaC48H36N4O
Molecular Weight684.84 g/mol
Exact Mass684.29
IUPAC Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(O)c4ncccc24)cc1C3(C)C
InChIInChI=1S/C48H36N4O/c1-47(2)38-24-30(32-21-22-42(53)43-35(32)16-11-23-49-43)17-19-33(38)36-26-41-37(27-40(36)47)34-20-18-31(25-39(34)48(41,3)4)46-51-44(28-12-7-5-8-13-28)50-45(52-46)29-14-9-6-10-15-29/h5-27,53H,1-4H3
InChIKeyDXBAHUFNSLQTOO-UHFFFAOYSA-N
XLogP11.41
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 511.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol?
The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol (CID 136502741) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol.
What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol?
The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(O)c4ncccc24)cc1C3(C)C.
What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol?
The InChIKey is DXBAHUFNSLQTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O/c1-47(2)38-24-30(32-21-22-42(53)43-35(32)16-11-23-49-43)17-19-33(38)36-26-41-37(27-40(36)47)34-20-18-31(25-39(34)48(41,3)4)46-51-44(28-12-7-5-8-13-28)50-45(52-46)29-14-9-6-10-15-29/h5-27,53H,1-4H3.
What are the key properties of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol?
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol has a molecular weight of 684.84 g/mol, XLogP of 11.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol is sourced from PubChem (CID 136502741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).