2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

C44H34N10 — CID 89495709

IUPAC2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCN1C(c2ccccn2)=NC(c2ccc3c(c2)C2(CCCC2)c2cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc2-3)=NC1c1ccccn1
InChIInChI=1S/C44H34N10/c1-54-42(36-14-4-10-24-47-36)52-39(53-43(54)37-15-5-11-25-48-37)29-17-19-31-30-18-16-28(26-32(30)44(33(31)27-29)20-6-7-21-44)38-49-40(34-12-2-8-22-45-34)51-41(50-38)35-13-3-9-23-46-35/h2-5,8-19,22-27,42H,6-7,20-21H2,1H3
InChIKeySJXICOVPVBTHKX-UHFFFAOYSA-N
MW702.83 g/mol
LogP8.13
Rot. Bonds6

About 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 89495709) has the molecular formula C44H34N10 and a molecular weight of 702.83 g/mol. Its IUPAC name is 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID89495709
Molecular FormulaC44H34N10
Molecular Weight702.83 g/mol
Exact Mass702.30
IUPAC Name2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCN1C(c2ccccn2)=NC(c2ccc3c(c2)C2(CCCC2)c2cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc2-3)=NC1c1ccccn1
InChIInChI=1S/C44H34N10/c1-54-42(36-14-4-10-24-47-36)52-39(53-43(54)37-15-5-11-25-48-37)29-17-19-31-30-18-16-28(26-32(30)44(33(31)27-29)20-6-7-21-44)38-49-40(34-12-2-8-22-45-34)51-41(50-38)35-13-3-9-23-46-35/h2-5,8-19,22-27,42H,6-7,20-21H2,1H3
InChIKeySJXICOVPVBTHKX-UHFFFAOYSA-N
XLogP8.13
TPSA118.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.83
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-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-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 89495709) is 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is CN1C(c2ccccn2)=NC(c2ccc3c(c2)C2(CCCC2)c2cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc2-3)=NC1c1ccccn1.
What is the InChIKey of 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is SJXICOVPVBTHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N10/c1-54-42(36-14-4-10-24-47-36)52-39(53-43(54)37-15-5-11-25-48-37)29-17-19-31-30-18-16-28(26-32(30)44(33(31)27-29)20-6-7-21-44)38-49-40(34-12-2-8-22-45-34)51-41(50-38)35-13-3-9-23-46-35/h2-5,8-19,22-27,42H,6-7,20-21H2,1H3.
What are the key properties of 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 702.83 g/mol, XLogP of 8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 89495709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).