5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol

C49H30N4O — CID 71036768

IUPAC5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)c2cccnc12
InChIInChI=1S/C49H30N4O/c54-44-26-25-34(39-18-11-27-50-45(39)44)32-21-23-37-35-16-7-9-19-40(35)49(42(37)28-32)41-20-10-8-17-36(41)38-24-22-33(29-43(38)49)48-52-46(30-12-3-1-4-13-30)51-47(53-48)31-14-5-2-6-15-31/h1-29,54H
InChIKeyFGRFOBNEDXKTMT-UHFFFAOYSA-N
MW690.81 g/mol
LogP11.14
Rot. Bonds4

About 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol

5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol (PubChem CID 71036768) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol
PubChem CID71036768
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)c2cccnc12
InChIInChI=1S/C49H30N4O/c54-44-26-25-34(39-18-11-27-50-45(39)44)32-21-23-37-35-16-7-9-19-40(35)49(42(37)28-32)41-20-10-8-17-36(41)38-24-22-33(29-43(38)49)48-52-46(30-12-3-1-4-13-30)51-47(53-48)31-14-5-2-6-15-31/h1-29,54H
InChIKeyFGRFOBNEDXKTMT-UHFFFAOYSA-N
XLogP11.14
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 511.14
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)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol?
The IUPAC name of 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol (CID 71036768) is 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol.
What is the SMILES notation for 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol?
The canonical SMILES for 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol is Oc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)c2cccnc12.
What is the InChIKey of 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol?
The InChIKey is FGRFOBNEDXKTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c54-44-26-25-34(39-18-11-27-50-45(39)44)32-21-23-37-35-16-7-9-19-40(35)49(42(37)28-32)41-20-10-8-17-36(41)38-24-22-33(29-43(38)49)48-52-46(30-12-3-1-4-13-30)51-47(53-48)31-14-5-2-6-15-31/h1-29,54H.
What are the key properties of 5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol?
5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol has a molecular weight of 690.81 g/mol, XLogP of 11.14, 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)-9,9'-spirobi[fluorene]-2-yl]quinolin-8-ol is sourced from PubChem (CID 71036768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).