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

C55H36N6 — CID 20652070

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)n2)cc1
InChIInChI=1S/C55H36N6/c1-7-19-37(20-8-1)49-56-50(38-21-9-2-10-22-38)59-53(58-49)41-31-33-45-46-34-32-42(54-60-51(39-23-11-3-12-24-39)57-52(61-54)40-25-13-4-14-26-40)36-48(46)55(47(45)35-41,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H
InChIKeyXUDQJMBTYVLZCG-UHFFFAOYSA-N
MW780.94 g/mol
LogP12.42
Rot. Bonds8

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

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 20652070) has the molecular formula C55H36N6 and a molecular weight of 780.94 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID20652070
Molecular FormulaC55H36N6
Molecular Weight780.94 g/mol
Exact Mass780.30
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)n2)cc1
InChIInChI=1S/C55H36N6/c1-7-19-37(20-8-1)49-56-50(38-21-9-2-10-22-38)59-53(58-49)41-31-33-45-46-34-32-42(54-60-51(39-23-11-3-12-24-39)57-52(61-54)40-25-13-4-14-26-40)36-48(46)55(47(45)35-41,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H
InChIKeyXUDQJMBTYVLZCG-UHFFFAOYSA-N
XLogP12.42
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.94
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 20652070) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)n2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XUDQJMBTYVLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6/c1-7-19-37(20-8-1)49-56-50(38-21-9-2-10-22-38)59-53(58-49)41-31-33-45-46-34-32-42(54-60-51(39-23-11-3-12-24-39)57-52(61-54)40-25-13-4-14-26-40)36-48(46)55(47(45)35-41,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 780.94 g/mol, XLogP of 12.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 20652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).