2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine

C49H32N4 — CID 167113650

IUPAC2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc6c(c7ccccc57)Cc5cccc(-c7ccccn7)c5-6)c4)cc3)n2)cc1
InChIInChI=1S/C49H32N4/c1-3-13-33(14-4-1)47-51-48(34-15-5-2-6-16-34)53-49(52-47)35-26-24-32(25-27-35)36-17-11-18-37(29-36)42-31-44-43(40-21-8-7-20-39(40)42)30-38-19-12-22-41(46(38)44)45-23-9-10-28-50-45/h1-29,31H,30H2
InChIKeyOIZCHMHDFIAXCL-UHFFFAOYSA-N
MW676.82 g/mol
LogP11.99
Rot. Bonds6

About 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 167113650) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID167113650
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc6c(c7ccccc57)Cc5cccc(-c7ccccn7)c5-6)c4)cc3)n2)cc1
InChIInChI=1S/C49H32N4/c1-3-13-33(14-4-1)47-51-48(34-15-5-2-6-16-34)53-49(52-47)35-26-24-32(25-27-35)36-17-11-18-37(29-36)42-31-44-43(40-21-8-7-20-39(40)42)30-38-19-12-22-41(46(38)44)45-23-9-10-28-50-45/h1-29,31H,30H2
InChIKeyOIZCHMHDFIAXCL-UHFFFAOYSA-N
XLogP11.99
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine
CID 167113564
2-[2-(9H-fluoren-4-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 146886116
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730918
2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 163633543
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
2,4-diphenyl-6-[4-[4-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164835177
6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 118243329
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171730885
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine (CID 167113650) is 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc6c(c7ccccc57)Cc5cccc(-c7ccccn7)c5-6)c4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is OIZCHMHDFIAXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-13-33(14-4-1)47-51-48(34-15-5-2-6-16-34)53-49(52-47)35-26-24-32(25-27-35)36-17-11-18-37(29-36)42-31-44-43(40-21-8-7-20-39(40)42)30-38-19-12-22-41(46(38)44)45-23-9-10-28-50-45/h1-29,31H,30H2.
What are the key properties of 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 676.82 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 167113650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).