8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline

C59H36N4 — CID 146648983

IUPAC8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)n2)cc1
InChIInChI=1S/C59H36N4/c1-2-15-39(16-3-1)56-61-57(40-32-30-37(31-33-40)41-24-12-17-38-18-14-36-60-55(38)41)63-58(62-56)50-35-34-44(42-19-4-5-20-43(42)50)48-25-13-26-49-47-23-8-11-29-53(47)59(54(48)49)51-27-9-6-21-45(51)46-22-7-10-28-52(46)59/h1-36H
InChIKeyKFOIBMMEJJYBMW-UHFFFAOYSA-N
MW800.97 g/mol
LogP14.25
Rot. Bonds5

About 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline

8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 146648983) has the molecular formula C59H36N4 and a molecular weight of 800.97 g/mol. Its IUPAC name is 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID146648983
Molecular FormulaC59H36N4
Molecular Weight800.97 g/mol
Exact Mass800.29
IUPAC Name8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)n2)cc1
InChIInChI=1S/C59H36N4/c1-2-15-39(16-3-1)56-61-57(40-32-30-37(31-33-40)41-24-12-17-38-18-14-36-60-55(38)41)63-58(62-56)50-35-34-44(42-19-4-5-20-43(42)50)48-25-13-26-49-47-23-8-11-29-53(47)59(54(48)49)51-27-9-6-21-45(51)46-22-7-10-28-52(46)59/h1-36H
InChIKeyKFOIBMMEJJYBMW-UHFFFAOYSA-N
XLogP14.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.97
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167359801
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648566
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793250
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 146649156
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
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
8-[4-[4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648989
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline (CID 146648983) is 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)n2)cc1.
What is the InChIKey of 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is KFOIBMMEJJYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4/c1-2-15-39(16-3-1)56-61-57(40-32-30-37(31-33-40)41-24-12-17-38-18-14-36-60-55(38)41)63-58(62-56)50-35-34-44(42-19-4-5-20-43(42)50)48-25-13-26-49-47-23-8-11-29-53(47)59(54(48)49)51-27-9-6-21-45(51)46-22-7-10-28-52(46)59/h1-36H.
What are the key properties of 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline?
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 800.97 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 146648983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).