2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine

C153H105N3O2S — CID 161420197

IUPAC2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2c1ccc1c2Oc2ccccc2C12c1ccccc1-c1ccccc12.CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc3oc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc3sc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c21
InChIInChI=1S/2C51H35NO.C51H35NS/c1-50(2)41-23-13-14-24-42(41)51(39-21-11-9-19-36(39)37-20-10-12-22-40(37)51)43-26-28-47-48(49(43)50)38-29-34(25-27-46(38)53-47)45-31-35(32-15-5-3-6-16-32)30-44(52-45)33-17-7-4-8-18-33;1-50(2)39-26-25-34(46-31-35(32-15-5-3-6-16-32)30-45(52-46)33-17-7-4-8-18-33)29-38(39)48-43(50)27-28-44-49(48)53-47-24-14-13-23-42(47)51(44)40-21-11-9-19-36(40)37-20-10-12-22-41(37)51;1-50(2)41-23-13-14-24-42(41)51(39-21-11-9-19-36(39)37-20-10-12-22-40(37)51)43-26-28-47-48(49(43)50)38-29-34(25-27-46(38)53-47)45-31-35(32-15-5-3-6-16-32)30-44(52-45)33-17-7-4-8-18-33/h3*3-31H,1-2H3
InChIKeyVWPYFYUJUCKVIH-UHFFFAOYSA-N
MW2049.61 g/mol
LogP39.29
Rot. Bonds9

About 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine

2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine (PubChem CID 161420197) has the molecular formula C153H105N3O2S and a molecular weight of 2049.61 g/mol. Its IUPAC name is 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine
PubChem CID161420197
Molecular FormulaC153H105N3O2S
Molecular Weight2049.61 g/mol
Exact Mass2047.79
IUPAC Name2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2c1ccc1c2Oc2ccccc2C12c1ccccc1-c1ccccc12.CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc3oc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc3sc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c21
InChIInChI=1S/2C51H35NO.C51H35NS/c1-50(2)41-23-13-14-24-42(41)51(39-21-11-9-19-36(39)37-20-10-12-22-40(37)51)43-26-28-47-48(49(43)50)38-29-34(25-27-46(38)53-47)45-31-35(32-15-5-3-6-16-32)30-44(52-45)33-17-7-4-8-18-33;1-50(2)39-26-25-34(46-31-35(32-15-5-3-6-16-32)30-45(52-46)33-17-7-4-8-18-33)29-38(39)48-43(50)27-28-44-49(48)53-47-24-14-13-23-42(47)51(44)40-21-11-9-19-36(40)37-20-10-12-22-41(37)51;1-50(2)41-23-13-14-24-42(41)51(39-21-11-9-19-36(39)37-20-10-12-22-40(37)51)43-26-28-47-48(49(43)50)38-29-34(25-27-46(38)53-47)45-31-35(32-15-5-3-6-16-32)30-44(52-45)33-17-7-4-8-18-33/h3*3-31H,1-2H3
InChIKeyVWPYFYUJUCKVIH-UHFFFAOYSA-N
XLogP39.29
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002049.61
LogP ≤ 539.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine with MolForge

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Related Compounds

2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine
CID 160736293
2-(10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-21,9'-fluorene]-6-yl)-4,6-diphenylpyridine;2-(14,14-dimethylspiro[10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-21,9'-fluorene]-6-yl)-4,6-diphenylpyridine;2-(10,10-dimethylspiro[14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-21,9'-fluorene]-6-yl)-4,6-diphenylpyridine;2-(14,14-dimethylspiro[10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-21,9'-fluorene]-6-yl)-4,6-diphenylpyridine
CID 159334542
2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-1-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[[1]benzothiolo[2,3-c]xanthene-8,9'-fluorene]-1-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,8'-thioxantheno[3,4-b][1]benzofuran]-1'-ylpyrimidine
CID 159605865
4-(14,14-dimethyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-2,6-diphenylpyrimidine
CID 146647795
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenylpyridine;4-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-2,6-diphenylpyridine;2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160819409
2-[3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)phenyl]-4,6-diphenylpyridine
CID 154602531
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-12'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[[1]benzofuro[2,3-c]xanthene-8,9'-fluorene]-1-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[[1]benzothiolo[2,3-c]xanthene-8,9'-fluorene]-1-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,8'-thioxantheno[3,4-b][1]benzofuran]-1'-yl-1,3,5-triazine
CID 158345257
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 166995669
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512

Frequently Asked Questions

What is the IUPAC name of 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine?
The IUPAC name of 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine (CID 161420197) is 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine.
What is the SMILES notation for 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine?
The canonical SMILES for 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine is CC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2c1ccc1c2Oc2ccccc2C12c1ccccc1-c1ccccc12.CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc3oc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc3sc4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3c21.
What is the InChIKey of 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine?
The InChIKey is VWPYFYUJUCKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H35NO.C51H35NS/c1-50(2)41-23-13-14-24-42(41)51(39-21-11-9-19-36(39)37-20-10-12-22-40(37)51)43-26-28-47-48(49(43)50)38-29-34(25-27-46(38)53-47)45-31-35(32-15-5-3-6-16-32)30-44(52-45)33-17-7-4-8-18-33;1-50(2)39-26-25-34(46-31-35(32-15-5-3-6-16-32)30-45(52-46)33-17-7-4-8-18-33)29-38(39)48-43(50)27-28-44-49(48)53-47-24-14-13-23-42(47)51(44)40-21-11-9-19-36(40)37-20-10-12-22-41(37)51;1-50(2)41-23-13-14-24-42(41)51(39-21-11-9-19-36(39)37-20-10-12-22-40(37)51)43-26-28-47-48(49(43)50)38-29-34(25-27-46(38)53-47)45-31-35(32-15-5-3-6-16-32)30-44(52-45)33-17-7-4-8-18-33/h3*3-31H,1-2H3.
What are the key properties of 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine?
2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine has a molecular weight of 2049.61 g/mol, XLogP of 39.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine is sourced from PubChem (CID 161420197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).