2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine

C55H34N6O — CID 146546834

IUPAC2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C55H34N6O/c1-3-17-35(18-4-1)52-59-53(36-19-5-2-6-20-36)61-54(60-52)41-24-16-28-45-51(41)62-50-38(37-33-48(46-29-11-13-31-56-46)58-49(34-37)47-30-12-14-32-57-47)23-15-27-44(50)55(45)42-25-9-7-21-39(42)40-22-8-10-26-43(40)55/h1-34H
InChIKeyJIOAGKIAVZGHKO-UHFFFAOYSA-N
MW794.92 g/mol
LogP12.53
Rot. Bonds6

About 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine

2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146546834) has the molecular formula C55H34N6O and a molecular weight of 794.92 g/mol. Its IUPAC name is 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146546834
Molecular FormulaC55H34N6O
Molecular Weight794.92 g/mol
Exact Mass794.28
IUPAC Name2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C55H34N6O/c1-3-17-35(18-4-1)52-59-53(36-19-5-2-6-20-36)61-54(60-52)41-24-16-28-45-51(41)62-50-38(37-33-48(46-29-11-13-31-56-46)58-49(34-37)47-30-12-14-32-57-47)23-15-27-44(50)55(45)42-25-9-7-21-39(42)40-22-8-10-26-43(40)55/h1-34H
InChIKeyJIOAGKIAVZGHKO-UHFFFAOYSA-N
XLogP12.53
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.92
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
2-[4-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164793158
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947317
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547203
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167178263
2-[2-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 165008995
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
5-[4-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzene-1,3-dicarbonitrile
CID 146362301
2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 164816961

Frequently Asked Questions

What is the IUPAC name of 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine (CID 146546834) is 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JIOAGKIAVZGHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6O/c1-3-17-35(18-4-1)52-59-53(36-19-5-2-6-20-36)61-54(60-52)41-24-16-28-45-51(41)62-50-38(37-33-48(46-29-11-13-31-56-46)58-49(34-37)47-30-12-14-32-57-47)23-15-27-44(50)55(45)42-25-9-7-21-39(42)40-22-8-10-26-43(40)55/h1-34H.
What are the key properties of 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine?
2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 794.92 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146546834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).