2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine

C51H34N4 — CID 148899116

IUPAC2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C51H34N4/c1-5-17-37(18-6-1)48-53-49(38-19-7-2-8-20-38)55-50(54-48)43-33-39(35-28-30-36(31-29-35)46-27-15-16-32-52-46)34-45-47(43)42-25-13-14-26-44(42)51(45,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-34H
InChIKeyPGLAQINSUCYYMN-UHFFFAOYSA-N
MW702.86 g/mol
LogP11.96
Rot. Bonds7

About 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine

2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 148899116) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID148899116
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C51H34N4/c1-5-17-37(18-6-1)48-53-49(38-19-7-2-8-20-38)55-50(54-48)43-33-39(35-28-30-36(31-29-35)46-27-15-16-32-52-46)34-45-47(43)42-25-13-14-26-44(42)51(45,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-34H
InChIKeyPGLAQINSUCYYMN-UHFFFAOYSA-N
XLogP11.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine
CID 170441826
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632572
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167178263
2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177079191
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 148966276
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 142504737
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 148899116) is 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PGLAQINSUCYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-17-37(18-6-1)48-53-49(38-19-7-2-8-20-38)55-50(54-48)43-33-39(35-28-30-36(31-29-35)46-27-15-16-32-52-46)34-45-47(43)42-25-13-14-26-44(42)51(45,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-34H.
What are the key properties of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine?
2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 702.86 g/mol, XLogP of 11.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 148899116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).