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

C161H98N4S3 — CID 162009362

IUPAC2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4sc5ccccc5c43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/2C54H33NS.C53H32N2S/c1-2-14-35(15-3-1)49-32-41(33-50(55-49)40-26-25-34-13-4-5-16-36(34)30-40)38-18-12-17-37(29-38)39-27-28-48-45(31-39)42-19-6-9-22-46(42)54(48)47-23-10-7-20-43(47)53-52(54)44-21-8-11-24-51(44)56-53;1-2-13-37(14-3-1)49-32-41(33-50(55-49)40-27-26-34-12-4-5-15-38(34)30-40)36-24-22-35(23-25-36)39-28-29-44-48(31-39)54(52-45-18-8-11-21-51(45)56-53(44)52)46-19-9-6-16-42(46)43-17-7-10-20-47(43)54;1-2-16-34(17-3-1)46-32-47(55-52(54-46)36-30-29-33-15-4-5-18-35(33)31-36)38-20-7-6-19-37(38)39-24-14-27-45-49(39)40-21-8-11-25-43(40)53(45)44-26-12-9-22-41(44)51-50(53)42-23-10-13-28-48(42)56-51/h2*1-33H;1-32H
InChIKeyYTGNXLTWVQXOHA-UHFFFAOYSA-N
MW2184.78 g/mol
LogP42.78
Rot. Bonds12

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

2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine (PubChem CID 162009362) has the molecular formula C161H98N4S3 and a molecular weight of 2184.78 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine
PubChem CID162009362
Molecular FormulaC161H98N4S3
Molecular Weight2184.78 g/mol
Exact Mass2182.70
IUPAC Name2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4sc5ccccc5c43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/2C54H33NS.C53H32N2S/c1-2-14-35(15-3-1)49-32-41(33-50(55-49)40-26-25-34-13-4-5-16-36(34)30-40)38-18-12-17-37(29-38)39-27-28-48-45(31-39)42-19-6-9-22-46(42)54(48)47-23-10-7-20-43(47)53-52(54)44-21-8-11-24-51(44)56-53;1-2-13-37(14-3-1)49-32-41(33-50(55-49)40-27-26-34-12-4-5-15-38(34)30-40)36-24-22-35(23-25-36)39-28-29-44-48(31-39)54(52-45-18-8-11-21-51(45)56-53(44)52)46-19-9-6-16-42(46)43-17-7-10-20-47(43)54;1-2-16-34(17-3-1)46-32-47(55-52(54-46)36-30-29-33-15-4-5-18-35(33)31-36)38-20-7-6-19-37(38)39-24-14-27-45-49(39)40-21-8-11-25-43(40)53(45)44-26-12-9-22-41(44)51-50(53)42-23-10-13-28-48(42)56-51/h2*1-33H;1-32H
InChIKeyYTGNXLTWVQXOHA-UHFFFAOYSA-N
XLogP42.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002184.78
LogP ≤ 542.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylpyrimidine
CID 161452910
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-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
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
2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 134533556
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-naphthalen-2-yl-6-phenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529496
2,4-diphenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-3-yl-1,3,5-triazine;4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylpyrimidine
CID 160636998
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
4-naphthalen-2-yl-2-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine;4-naphthalen-2-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 159959873
2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
CID 134529350

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine?
The IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine (CID 162009362) is 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4sc5ccccc5c43)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine?
The InChIKey is YTGNXLTWVQXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H33NS.C53H32N2S/c1-2-14-35(15-3-1)49-32-41(33-50(55-49)40-26-25-34-13-4-5-16-36(34)30-40)38-18-12-17-37(29-38)39-27-28-48-45(31-39)42-19-6-9-22-46(42)54(48)47-23-10-7-20-43(47)53-52(54)44-21-8-11-24-51(44)56-53;1-2-13-37(14-3-1)49-32-41(33-50(55-49)40-27-26-34-12-4-5-15-38(34)30-40)36-24-22-35(23-25-36)39-28-29-44-48(31-39)54(52-45-18-8-11-21-51(45)56-53(44)52)46-19-9-6-16-42(46)43-17-7-10-20-47(43)54;1-2-16-34(17-3-1)46-32-47(55-52(54-46)36-30-29-33-15-4-5-18-35(33)31-36)38-20-7-6-19-37(38)39-24-14-27-45-49(39)40-21-8-11-25-43(40)53(45)44-26-12-9-22-41(44)51-50(53)42-23-10-13-28-48(42)56-51/h2*1-33H;1-32H.
What are the key properties of 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine?
2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine has a molecular weight of 2184.78 g/mol, XLogP of 42.78, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine is sourced from PubChem (CID 162009362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).