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

C56H43N9 — CID 91286303

IUPAC2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine
SMILESCCC(C)=CC=CC=C(C)c1nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc2-3)nc(-c2ccccn2)n1
InChIInChI=1S/C56H43N9/c1-4-37(2)19-11-12-20-38(3)50-60-51(62-53(61-50)47-25-13-16-32-57-47)39-28-30-43-44-31-29-40(52-63-54(48-26-14-17-33-58-48)65-55(64-52)49-27-15-18-34-59-49)36-46(44)56(45(43)35-39,41-21-7-5-8-22-41)42-23-9-6-10-24-42/h5-36H,4H2,1-3H3
InChIKeyDLNTWWDAISYBTE-UHFFFAOYSA-N
MW842.02 g/mol
LogP12.26
Rot. Bonds11

About 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 91286303) has the molecular formula C56H43N9 and a molecular weight of 842.02 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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine
PubChem CID91286303
Molecular FormulaC56H43N9
Molecular Weight842.02 g/mol
Exact Mass841.36
IUPAC Name2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine
SMILESCCC(C)=CC=CC=C(C)c1nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc2-3)nc(-c2ccccn2)n1
InChIInChI=1S/C56H43N9/c1-4-37(2)19-11-12-20-38(3)50-60-51(62-53(61-50)47-25-13-16-32-57-47)39-28-30-43-44-31-29-40(52-63-54(48-26-14-17-33-58-48)65-55(64-52)49-27-15-18-34-59-49)36-46(44)56(45(43)35-39,41-21-7-5-8-22-41)42-23-9-6-10-24-42/h5-36H,4H2,1-3H3
InChIKeyDLNTWWDAISYBTE-UHFFFAOYSA-N
XLogP12.26
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.02
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
2-(4-Benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)-6-pyridin-4-ylpyrimidine
CID 44399519
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
2,4-Bis(3,5-di-4-pyridinylphenyl)-6-phenyl-1,3,5-triazine
CID 102220863
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-3-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117829609
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 58261748
2,4-Bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine
CID 58261753

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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine (CID 91286303) is 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine is CCC(C)=CC=CC=C(C)c1nc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)ccc2-3)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[7-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is DLNTWWDAISYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N9/c1-4-37(2)19-11-12-20-38(3)50-60-51(62-53(61-50)47-25-13-16-32-57-47)39-28-30-43-44-31-29-40(52-63-54(48-26-14-17-33-58-48)65-55(64-52)49-27-15-18-34-59-49)36-46(44)56(45(43)35-39,41-21-7-5-8-22-41)42-23-9-6-10-24-42/h5-36H,4H2,1-3H3.
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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 842.02 g/mol, XLogP of 12.26, 11 rotatable bonds, 0 hydrogen bond donors, and 9 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-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 91286303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).