2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

C51H32N10 — CID 58233341

IUPAC2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc3-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc32)cc1
InChIInChI=1S/C51H32N10/c1-3-15-35(16-4-1)51(36-17-5-2-6-18-36)39-31-33(45-56-47(41-19-7-11-27-52-41)60-48(57-45)42-20-8-12-28-53-42)23-25-37(39)38-26-24-34(32-40(38)51)46-58-49(43-21-9-13-29-54-43)61-50(59-46)44-22-10-14-30-55-44/h1-32H
InChIKeyYUHIGAGSOXBYHJ-UHFFFAOYSA-N
MW784.89 g/mol
LogP10.00
Rot. Bonds8

About 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58233341) has the molecular formula C51H32N10 and a molecular weight of 784.89 g/mol. Its IUPAC name is 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58233341
Molecular FormulaC51H32N10
Molecular Weight784.89 g/mol
Exact Mass784.28
IUPAC Name2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc3-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc32)cc1
InChIInChI=1S/C51H32N10/c1-3-15-35(16-4-1)51(36-17-5-2-6-18-36)39-31-33(45-56-47(41-19-7-11-27-52-41)60-48(57-45)42-20-8-12-28-53-42)23-25-37(39)38-26-24-34(32-40(38)51)46-58-49(43-21-9-13-29-54-43)61-50(59-46)44-22-10-14-30-55-44/h1-32H
InChIKeyYUHIGAGSOXBYHJ-UHFFFAOYSA-N
XLogP10.00
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.89
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-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-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58233341) is 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc3-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc32)cc1.
What is the InChIKey of 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is YUHIGAGSOXBYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N10/c1-3-15-35(16-4-1)51(36-17-5-2-6-18-36)39-31-33(45-56-47(41-19-7-11-27-52-41)60-48(57-45)42-20-8-12-28-53-42)23-25-37(39)38-26-24-34(32-40(38)51)46-58-49(43-21-9-13-29-54-43)61-50(59-46)44-22-10-14-30-55-44/h1-32H.
What are the key properties of 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 784.89 g/mol, XLogP of 10.00, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).