2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine

C144H87N7S3 — CID 158407712

IUPAC2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(sc6ccccc46)C54c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C53H32N2S.C48H29N3S.C43H26N2S/c1-2-15-35(16-3-1)46-32-47(41-23-12-17-33-14-4-5-18-37(33)41)55-52(54-46)36-30-28-34(29-31-36)38-22-13-24-43-49-42-21-8-11-27-48(42)56-51(49)53(50(38)43)44-25-9-6-19-39(44)40-20-7-10-26-45(40)53;1-3-15-30(16-4-1)45-49-46(31-17-5-2-6-18-31)51-47(50-45)33-20-13-19-32(29-33)34-24-14-27-40-42(34)43-37-23-9-12-28-41(37)52-44(43)48(40)38-25-10-7-21-35(38)36-22-8-11-26-39(36)48;1-3-14-27(15-4-1)36-26-37(28-16-5-2-6-17-28)45-42(44-36)32-21-13-24-35-39(32)29-18-7-10-22-33(29)43(35)34-23-11-8-19-30(34)40-31-20-9-12-25-38(31)46-41(40)43/h1-32H;1-29H;1-26H
InChIKeyGYXGSXNRFSPOKZ-UHFFFAOYSA-N
MW2011.53 g/mol
LogP36.99
Rot. Bonds11

About 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine

2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine (PubChem CID 158407712) has the molecular formula C144H87N7S3 and a molecular weight of 2011.53 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine
PubChem CID158407712
Molecular FormulaC144H87N7S3
Molecular Weight2011.53 g/mol
Exact Mass2009.62
IUPAC Name2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(sc6ccccc46)C54c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C53H32N2S.C48H29N3S.C43H26N2S/c1-2-15-35(16-3-1)46-32-47(41-23-12-17-33-14-4-5-18-37(33)41)55-52(54-46)36-30-28-34(29-31-36)38-22-13-24-43-49-42-21-8-11-27-48(42)56-51(49)53(50(38)43)44-25-9-6-19-39(44)40-20-7-10-26-45(40)53;1-3-15-30(16-4-1)45-49-46(31-17-5-2-6-18-31)51-47(50-45)33-20-13-19-32(29-33)34-24-14-27-40-42(34)43-37-23-9-12-28-41(37)52-44(43)48(40)38-25-10-7-21-35(38)36-22-8-11-26-39(36)48;1-3-14-27(15-4-1)36-26-37(28-16-5-2-6-17-28)45-42(44-36)32-21-13-24-35-39(32)29-18-7-10-22-33(29)43(35)34-23-11-8-19-30(34)40-31-20-9-12-25-38(31)46-41(40)43/h1-32H;1-29H;1-26H
InChIKeyGYXGSXNRFSPOKZ-UHFFFAOYSA-N
XLogP36.99
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002011.53
LogP ≤ 536.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine with MolForge

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Related Compounds

2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 158945600
2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)-1,3,5-triazine
CID 134529459
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529484
4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529499
4-naphthalen-2-yl-6-phenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529496
2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 158467372
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
2-naphthalen-1-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyridine;2-naphthalen-1-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 159998892
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine
CID 162152564
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584076
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356601

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine (CID 158407712) is 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(sc6ccccc46)C54c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine?
The InChIKey is GYXGSXNRFSPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2S.C48H29N3S.C43H26N2S/c1-2-15-35(16-3-1)46-32-47(41-23-12-17-33-14-4-5-18-37(33)41)55-52(54-46)36-30-28-34(29-31-36)38-22-13-24-43-49-42-21-8-11-27-48(42)56-51(49)53(50(38)43)44-25-9-6-19-39(44)40-20-7-10-26-45(40)53;1-3-15-30(16-4-1)45-49-46(31-17-5-2-6-18-31)51-47(50-45)33-20-13-19-32(29-33)34-24-14-27-40-42(34)43-37-23-9-12-28-41(37)52-44(43)48(40)38-25-10-7-21-35(38)36-22-8-11-26-39(36)48;1-3-14-27(15-4-1)36-26-37(28-16-5-2-6-17-28)45-42(44-36)32-21-13-24-35-39(32)29-18-7-10-22-33(29)43(35)34-23-11-8-19-30(34)40-31-20-9-12-25-38(31)46-41(40)43/h1-32H;1-29H;1-26H.
What are the key properties of 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine?
2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine has a molecular weight of 2011.53 g/mol, XLogP of 36.99, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine is sourced from PubChem (CID 158407712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).