8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline

C50H28N10 — CID 168782527

IUPAC8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccccn3)nc(-c3ccc4ccc5c(-c6nc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)n6)ccc6ccc3c4c65)n2)nc1
InChIInChI=1S/C50H28N10/c1-3-25-51-39(15-1)49-58-46(59-50(60-49)40-16-2-4-26-52-40)36-24-20-30-17-21-33-35(23-19-29-18-22-34(36)42(30)41(29)33)45-55-47(37-13-5-9-31-11-7-27-53-43(31)37)57-48(56-45)38-14-6-10-32-12-8-28-54-44(32)38/h1-28H
InChIKeyNSJUMKCEITVVJE-UHFFFAOYSA-N
MW768.84 g/mol
LogP10.84
Rot. Bonds6

About 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline

8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline (PubChem CID 168782527) has the molecular formula C50H28N10 and a molecular weight of 768.84 g/mol. Its IUPAC name is 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
PubChem CID168782527
Molecular FormulaC50H28N10
Molecular Weight768.84 g/mol
Exact Mass768.25
IUPAC Name8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3ccccn3)nc(-c3ccc4ccc5c(-c6nc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)n6)ccc6ccc3c4c65)n2)nc1
InChIInChI=1S/C50H28N10/c1-3-25-51-39(15-1)49-58-46(59-50(60-49)40-16-2-4-26-52-40)36-24-20-30-17-21-33-35(23-19-29-18-22-34(36)42(30)41(29)33)45-55-47(37-13-5-9-31-11-7-27-53-43(31)37)57-48(56-45)38-14-6-10-32-12-8-28-54-44(32)38/h1-28H
InChIKeyNSJUMKCEITVVJE-UHFFFAOYSA-N
XLogP10.84
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.84
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline (CID 168782527) is 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2nc(-c3ccccn3)nc(-c3ccc4ccc5c(-c6nc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)n6)ccc6ccc3c4c65)n2)nc1.
What is the InChIKey of 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is NSJUMKCEITVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N10/c1-3-25-51-39(15-1)49-58-46(59-50(60-49)40-16-2-4-26-52-40)36-24-20-30-17-21-33-35(23-19-29-18-22-34(36)42(30)41(29)33)45-55-47(37-13-5-9-31-11-7-27-53-43(31)37)57-48(56-45)38-14-6-10-32-12-8-28-54-44(32)38/h1-28H.
What are the key properties of 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?
8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 768.84 g/mol, XLogP of 10.84, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 168782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).