2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]

C59H36N4 — CID 168855233

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6c(-c7ccccc7)nc7ccccc7c65)ccc4c3)n2)cc1
InChIInChI=1S/C59H36N4/c1-4-16-37(17-5-1)55-53-47-23-11-14-26-50(47)59(54(53)48-24-12-15-27-52(48)60-55)49-25-13-10-22-45(49)46-33-32-43(36-51(46)59)41-28-29-42-35-44(31-30-40(42)34-41)58-62-56(38-18-6-2-7-19-38)61-57(63-58)39-20-8-3-9-21-39/h1-36H
InChIKeyNYGPECUGOVCXNY-UHFFFAOYSA-N
MW800.97 g/mol
LogP14.25
Rot. Bonds5

About 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 168855233) has the molecular formula C59H36N4 and a molecular weight of 800.97 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID168855233
Molecular FormulaC59H36N4
Molecular Weight800.97 g/mol
Exact Mass800.29
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6c(-c7ccccc7)nc7ccccc7c65)ccc4c3)n2)cc1
InChIInChI=1S/C59H36N4/c1-4-16-37(17-5-1)55-53-47-23-11-14-26-50(47)59(54(53)48-24-12-15-27-52(48)60-55)49-25-13-10-22-45(49)46-33-32-43(36-51(46)59)41-28-29-42-35-44(31-30-40(42)34-41)58-62-56(38-18-6-2-7-19-38)61-57(63-58)39-20-8-3-9-21-39/h1-36H
InChIKeyNYGPECUGOVCXNY-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

6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855290
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898658
2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898676
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine
CID 137493485
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 168855233) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6c(-c7ccccc7)nc7ccccc7c65)ccc4c3)n2)cc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is NYGPECUGOVCXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4/c1-4-16-37(17-5-1)55-53-47-23-11-14-26-50(47)59(54(53)48-24-12-15-27-52(48)60-55)49-25-13-10-22-45(49)46-33-32-43(36-51(46)59)41-28-29-42-35-44(31-30-40(42)34-41)58-62-56(38-18-6-2-7-19-38)61-57(63-58)39-20-8-3-9-21-39/h1-36H.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]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 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 168855233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).