7-[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 136502740

IUPAC7-[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(-c2ccc4cccnc4c2O)cc1C3(C)C
InChIInChI=1S/C48H36N4O/c1-47(2)38-24-31(33-20-17-28-16-11-23-49-42(28)43(33)53)18-21-34(38)36-26-41-37(27-40(36)47)35-22-19-32(25-39(35)48(41,3)4)46-51-44(29-12-7-5-8-13-29)50-45(52-46)30-14-9-6-10-15-30/h5-27,53H,1-4H3
InChIKeyRTSFPZKWHRPKNS-UHFFFAOYSA-N
MW684.84 g/mol
LogP11.41
Rot. Bonds4

About 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol

7-[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 136502740) has the molecular formula C48H36N4O and a molecular weight of 684.84 g/mol. Its IUPAC name is 7-[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 Name7-[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 CID136502740
Molecular FormulaC48H36N4O
Molecular Weight684.84 g/mol
Exact Mass684.29
IUPAC Name7-[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(-c2ccc4cccnc4c2O)cc1C3(C)C
InChIInChI=1S/C48H36N4O/c1-47(2)38-24-31(33-20-17-28-16-11-23-49-42(28)43(33)53)18-21-34(38)36-26-41-37(27-40(36)47)35-22-19-32(25-39(35)48(41,3)4)46-51-44(29-12-7-5-8-13-29)50-45(52-46)30-14-9-6-10-15-30/h5-27,53H,1-4H3
InChIKeyRTSFPZKWHRPKNS-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 7-[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 7-[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 136502740) is 7-[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 7-[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 7-[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(-c2ccc4cccnc4c2O)cc1C3(C)C.
What is the InChIKey of 7-[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 RTSFPZKWHRPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O/c1-47(2)38-24-31(33-20-17-28-16-11-23-49-42(28)43(33)53)18-21-34(38)36-26-41-37(27-40(36)47)35-22-19-32(25-39(35)48(41,3)4)46-51-44(29-12-7-5-8-13-29)50-45(52-46)30-14-9-6-10-15-30/h5-27,53H,1-4H3.
What are the key properties of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]quinolin-8-ol?
7-[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 7-[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 136502740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).