4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine

C174H110N10O3S — CID 157436117

IUPAC4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C47H30N2S.C46H29N3O.C41H26N2O.C40H25N3O/c1-3-13-32(14-4-1)42-30-43(33-15-5-2-6-16-33)49-46(48-42)34-25-23-31(24-26-34)35-27-28-37-36-17-7-8-18-38(36)47(41(37)29-35)39-19-9-11-21-44(39)50-45-22-12-10-20-40(45)47;1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-36-35-17-7-8-18-37(35)46(40(36)29-34)38-19-9-11-21-41(38)50-42-22-12-10-20-39(42)46;1-3-14-27(15-4-1)36-26-37(43-40(42-36)28-16-5-2-6-17-28)31-20-13-24-35-39(31)44-38-25-12-11-23-34(38)41(35)32-21-9-7-18-29(32)30-19-8-10-22-33(30)41;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-34(25-28)40(33-21-11-12-22-35(33)44-36)31-19-9-7-17-29(31)30-18-8-10-20-32(30)40/h1-30H;1-29H;1-26H;1-25H
InChIKeyBRCTVAOCXYVLSW-UHFFFAOYSA-N
MW2420.93 g/mol
LogP42.27
Rot. Bonds14

About 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine

4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine (PubChem CID 157436117) has the molecular formula C174H110N10O3S and a molecular weight of 2420.93 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
PubChem CID157436117
Molecular FormulaC174H110N10O3S
Molecular Weight2420.93 g/mol
Exact Mass2418.85
IUPAC Name4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C47H30N2S.C46H29N3O.C41H26N2O.C40H25N3O/c1-3-13-32(14-4-1)42-30-43(33-15-5-2-6-16-33)49-46(48-42)34-25-23-31(24-26-34)35-27-28-37-36-17-7-8-18-38(36)47(41(37)29-35)39-19-9-11-21-44(39)50-45-22-12-10-20-40(45)47;1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-36-35-17-7-8-18-37(35)46(40(36)29-34)38-19-9-11-21-41(38)50-42-22-12-10-20-39(42)46;1-3-14-27(15-4-1)36-26-37(43-40(42-36)28-16-5-2-6-17-28)31-20-13-24-35-39(31)44-38-25-12-11-23-34(38)41(35)32-21-9-7-18-29(32)30-19-8-10-22-33(30)41;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-34(25-28)40(33-21-11-12-22-35(33)44-36)31-19-9-7-17-29(31)30-18-8-10-20-32(30)40/h1-30H;1-29H;1-26H;1-25H
InChIKeyBRCTVAOCXYVLSW-UHFFFAOYSA-N
XLogP42.27
TPSA156.59 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002420.93
LogP ≤ 542.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
4-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile
CID 158157997
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-3'-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 158617816
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
CID 146343142
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The IUPAC name of 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine (CID 157436117) is 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine.
What is the SMILES notation for 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The canonical SMILES for 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
The InChIKey is BRCTVAOCXYVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2S.C46H29N3O.C41H26N2O.C40H25N3O/c1-3-13-32(14-4-1)42-30-43(33-15-5-2-6-16-33)49-46(48-42)34-25-23-31(24-26-34)35-27-28-37-36-17-7-8-18-38(36)47(41(37)29-35)39-19-9-11-21-44(39)50-45-22-12-10-20-40(45)47;1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-36-35-17-7-8-18-37(35)46(40(36)29-34)38-19-9-11-21-41(38)50-42-22-12-10-20-39(42)46;1-3-14-27(15-4-1)36-26-37(43-40(42-36)28-16-5-2-6-17-28)31-20-13-24-35-39(31)44-38-25-12-11-23-34(38)41(35)32-21-9-7-18-29(32)30-19-8-10-22-33(30)41;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-34(25-28)40(33-21-11-12-22-35(33)44-36)31-19-9-7-17-29(31)30-18-8-10-20-32(30)40/h1-30H;1-29H;1-26H;1-25H.
What are the key properties of 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine?
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine has a molecular weight of 2420.93 g/mol, XLogP of 42.27, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 157436117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).