5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol

C48H36N4O — CID 136502745

IUPAC5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(O)c4ncccc24)ccc1-3
InChIInChI=1S/C48H36N4O/c1-47(2)38-26-30(32-23-24-40(53)43-37(32)16-11-25-49-43)17-19-33(38)35-21-22-36-34-20-18-31(27-39(34)48(3,4)42(36)41(35)47)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
InChIKeyFSNFMNOQJOSMDI-UHFFFAOYSA-N
MW684.84 g/mol
LogP11.41
Rot. Bonds4

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol (PubChem CID 136502745) 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)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol
PubChem CID136502745
Molecular FormulaC48H36N4O
Molecular Weight684.84 g/mol
Exact Mass684.29
IUPAC Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(O)c4ncccc24)ccc1-3
InChIInChI=1S/C48H36N4O/c1-47(2)38-26-30(32-23-24-40(53)43-37(32)16-11-25-49-43)17-19-33(38)35-21-22-36-34-20-18-31(27-39(34)48(3,4)42(36)41(35)47)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
InChIKeyFSNFMNOQJOSMDI-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol?
The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol (CID 136502745) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol.
What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol?
The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(O)c4ncccc24)ccc1-3.
What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol?
The InChIKey is FSNFMNOQJOSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O/c1-47(2)38-26-30(32-23-24-40(53)43-37(32)16-11-25-49-43)17-19-33(38)35-21-22-36-34-20-18-31(27-39(34)48(3,4)42(36)41(35)47)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)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol?
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-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)-11,11,12,12-tetramethylindeno[2,1-a]fluoren-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).