4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine

C90H54N4S2 — CID 166737875

IUPAC4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4cc(-c5ccc6c(c5)Sc5ccc(-c7nc(-c8ccccc8)cc(-c8cccc9ccccc89)n7)cc5C65c6ccccc6-c6ccccc65)ccc4c3)nc(-c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C90H54N4S2/c1-3-21-56(22-4-1)79-53-81(93-87(91-79)63-43-46-84-77(50-63)89(75-36-17-18-37-83(75)95-84)71-32-13-9-27-66(71)67-28-10-14-33-72(67)89)62-41-40-58-48-59(38-39-60(58)49-62)61-42-45-76-86(52-61)96-85-47-44-64(51-78(85)90(76)73-34-15-11-29-68(73)69-30-12-16-35-74(69)90)88-92-80(57-23-5-2-6-24-57)54-82(94-88)70-31-19-25-55-20-7-8-26-65(55)70/h1-54H
InChIKeyCBXKYUWXYBWZSY-UHFFFAOYSA-N
MW1255.58 g/mol
LogP22.90
Rot. Bonds7

About 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine

4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine (PubChem CID 166737875) has the molecular formula C90H54N4S2 and a molecular weight of 1255.58 g/mol. Its IUPAC name is 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
PubChem CID166737875
Molecular FormulaC90H54N4S2
Molecular Weight1255.58 g/mol
Exact Mass1254.38
IUPAC Name4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4cc(-c5ccc6c(c5)Sc5ccc(-c7nc(-c8ccccc8)cc(-c8cccc9ccccc89)n7)cc5C65c6ccccc6-c6ccccc65)ccc4c3)nc(-c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C90H54N4S2/c1-3-21-56(22-4-1)79-53-81(93-87(91-79)63-43-46-84-77(50-63)89(75-36-17-18-37-83(75)95-84)71-32-13-9-27-66(71)67-28-10-14-33-72(67)89)62-41-40-58-48-59(38-39-60(58)49-62)61-42-45-76-86(52-61)96-85-47-44-64(51-78(85)90(76)73-34-15-11-29-68(73)69-30-12-16-35-74(69)90)88-92-80(57-23-5-2-6-24-57)54-82(94-88)70-31-19-25-55-20-7-8-26-65(55)70/h1-54H
InChIKeyCBXKYUWXYBWZSY-UHFFFAOYSA-N
XLogP22.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.58
LogP ≤ 522.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine with MolForge

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Related Compounds

4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737946
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 166738191
2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327024
2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327029
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
2,4-diphenyl-6-(4-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-ylphenyl)pyrimidine
CID 155054832
4-phenyl-6-(4-phenylphenyl)-2-spiro[benzo[b]thioxanthene-12,9'-fluorene]-2-ylpyrimidine
CID 155054889
2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 166737951
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737907
8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 164793257
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-yl-1,3,5-triazine
CID 155054905

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine?
The IUPAC name of 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine (CID 166737875) is 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine is c1ccc(-c2cc(-c3ccc4cc(-c5ccc6c(c5)Sc5ccc(-c7nc(-c8ccccc8)cc(-c8cccc9ccccc89)n7)cc5C65c6ccccc6-c6ccccc65)ccc4c3)nc(-c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine?
The InChIKey is CBXKYUWXYBWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N4S2/c1-3-21-56(22-4-1)79-53-81(93-87(91-79)63-43-46-84-77(50-63)89(75-36-17-18-37-83(75)95-84)71-32-13-9-27-66(71)67-28-10-14-33-72(67)89)62-41-40-58-48-59(38-39-60(58)49-62)61-42-45-76-86(52-61)96-85-47-44-64(51-78(85)90(76)73-34-15-11-29-68(73)69-30-12-16-35-74(69)90)88-92-80(57-23-5-2-6-24-57)54-82(94-88)70-31-19-25-55-20-7-8-26-65(55)70/h1-54H.
What are the key properties of 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine?
4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine has a molecular weight of 1255.58 g/mol, XLogP of 22.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine is sourced from PubChem (CID 166737875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).