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

C55H34N4S — CID 164793271

IUPAC8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C55H34N4S/c1-3-15-35(16-4-1)36-30-32-39(33-31-36)53-57-52(38-17-5-2-6-18-38)58-54(59-53)44-25-13-29-48-51(44)60-50-43(42-23-11-19-37-20-14-34-56-49(37)42)24-12-28-47(50)55(48)45-26-9-7-21-40(45)41-22-8-10-27-46(41)55/h1-34H
InChIKeyUBYRQWVOAZYBID-UHFFFAOYSA-N
MW782.97 g/mol
LogP13.58
Rot. Bonds5

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

8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline (PubChem CID 164793271) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline.

Molecular Properties

Compound Name8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
PubChem CID164793271
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C55H34N4S/c1-3-15-35(16-4-1)36-30-32-39(33-31-36)53-57-52(38-17-5-2-6-18-38)58-54(59-53)44-25-13-29-48-51(44)60-50-43(42-23-11-19-37-20-14-34-56-49(37)42)24-12-28-47(50)55(48)45-26-9-7-21-40(45)41-22-8-10-27-46(41)55/h1-34H
InChIKeyUBYRQWVOAZYBID-UHFFFAOYSA-N
XLogP13.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
CID 164793082
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-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]quinoline
CID 146547877
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648566
8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline
CID 153486712
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
CID 155767872
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163703777
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
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

Frequently Asked Questions

What is the IUPAC name of 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline?
The IUPAC name of 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline (CID 164793271) is 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline.
What is the SMILES notation for 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline?
The canonical SMILES for 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.
What is the InChIKey of 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline?
The InChIKey is UBYRQWVOAZYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-3-15-35(16-4-1)36-30-32-39(33-31-36)53-57-52(38-17-5-2-6-18-38)58-54(59-53)44-25-13-29-48-51(44)60-50-43(42-23-11-19-37-20-14-34-56-49(37)42)24-12-28-47(50)55(48)45-26-9-7-21-40(45)41-22-8-10-27-46(41)55/h1-34H.
What are the key properties of 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline?
8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline has a molecular weight of 782.97 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline is sourced from PubChem (CID 164793271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).