2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

C53H34N10 — CID 58233279

IUPAC2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc31)c1cc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)ccc1-2
InChIInChI=1S/C53H34N10/c1-31-15-19-35-37-21-17-33(47-58-49(43-11-3-7-23-54-43)62-50(59-47)44-12-4-8-24-55-44)29-41(37)53(39(35)27-31)40-28-32(2)16-20-36(40)38-22-18-34(30-42(38)53)48-60-51(45-13-5-9-25-56-45)63-52(61-48)46-14-6-10-26-57-46/h3-30H,1-2H3
InChIKeyFYWTUSVCYMNCGM-UHFFFAOYSA-N
MW810.93 g/mol
LogP10.60
Rot. Bonds6

About 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58233279) has the molecular formula C53H34N10 and a molecular weight of 810.93 g/mol. Its IUPAC name is 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58233279
Molecular FormulaC53H34N10
Molecular Weight810.93 g/mol
Exact Mass810.30
IUPAC Name2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc31)c1cc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)ccc1-2
InChIInChI=1S/C53H34N10/c1-31-15-19-35-37-21-17-33(47-58-49(43-11-3-7-23-54-43)62-50(59-47)44-12-4-8-24-55-44)29-41(37)53(39(35)27-31)40-28-32(2)16-20-36(40)38-22-18-34(30-42(38)53)48-60-51(45-13-5-9-25-56-45)63-52(61-48)46-14-6-10-26-57-46/h3-30H,1-2H3
InChIKeyFYWTUSVCYMNCGM-UHFFFAOYSA-N
XLogP10.60
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.93
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58233279) is 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc31)c1cc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)ccc1-2.
What is the InChIKey of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is FYWTUSVCYMNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N10/c1-31-15-19-35-37-21-17-33(47-58-49(43-11-3-7-23-54-43)62-50(59-47)44-12-4-8-24-55-44)29-41(37)53(39(35)27-31)40-28-32(2)16-20-36(40)38-22-18-34(30-42(38)53)48-60-51(45-13-5-9-25-56-45)63-52(61-48)46-14-6-10-26-57-46/h3-30H,1-2H3.
What are the key properties of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 810.93 g/mol, XLogP of 10.60, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).