4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine

C74H44N6OS — CID 163647137

IUPAC4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6nc(-c7ccc8c(c7)sc7ccccc78)c7oc8ccccc8c7n6)ccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)n3)c2)cc1
InChIInChI=1S/C74H44N6OS/c1-4-20-45(21-5-1)47-24-18-25-49(42-47)72-77-70(46-22-6-2-7-23-46)78-73(79-72)55-30-19-33-60-66(55)56-43-50(39-41-57(56)74(60)58-31-12-14-34-61(58)80(51-26-8-3-9-27-51)62-35-15-13-32-59(62)74)71-75-67(69-68(76-71)54-29-10-16-36-63(54)81-69)48-38-40-53-52-28-11-17-37-64(52)82-65(53)44-48/h1-44H
InChIKeyIJELXXGAAPNMIK-UHFFFAOYSA-N
MW1065.27 g/mol
LogP19.08
Rot. Bonds7

About 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine

4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 163647137) has the molecular formula C74H44N6OS and a molecular weight of 1065.27 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID163647137
Molecular FormulaC74H44N6OS
Molecular Weight1065.27 g/mol
Exact Mass1064.33
IUPAC Name4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6nc(-c7ccc8c(c7)sc7ccccc78)c7oc8ccccc8c7n6)ccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)n3)c2)cc1
InChIInChI=1S/C74H44N6OS/c1-4-20-45(21-5-1)47-24-18-25-49(42-47)72-77-70(46-22-6-2-7-23-46)78-73(79-72)55-30-19-33-60-66(55)56-43-50(39-41-57(56)74(60)58-31-12-14-34-61(58)80(51-26-8-3-9-27-51)62-35-15-13-32-59(62)74)71-75-67(69-68(76-71)54-29-10-16-36-63(54)81-69)48-38-40-53-52-28-11-17-37-64(52)82-65(53)44-48/h1-44H
InChIKeyIJELXXGAAPNMIK-UHFFFAOYSA-N
XLogP19.08
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.27
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 163647137) is 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4cc(-c6nc(-c7ccc8c(c7)sc7ccccc78)c7oc8ccccc8c7n6)ccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)n3)c2)cc1.
What is the InChIKey of 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is IJELXXGAAPNMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N6OS/c1-4-20-45(21-5-1)47-24-18-25-49(42-47)72-77-70(46-22-6-2-7-23-46)78-73(79-72)55-30-19-33-60-66(55)56-43-50(39-41-57(56)74(60)58-31-12-14-34-61(58)80(51-26-8-3-9-27-51)62-35-15-13-32-59(62)74)71-75-67(69-68(76-71)54-29-10-16-36-63(54)81-69)48-38-40-53-52-28-11-17-37-64(52)82-65(53)44-48/h1-44H.
What are the key properties of 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1065.27 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-3-yl-2-[10-phenyl-5'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]-3'-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 163647137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).