8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide

C80H47N3O6S2 — CID 140938160

IUPAC8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide
SMILESO=S1(=O)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2c1ccc1c2c2ccccc2n1-c1ccc2c(c1)c1cc(-n3c4ccccc4c4c5c(ccc43)S(=O)(=O)c3ccccc3C53c4ccccc4Oc4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C80H47N3O6S2/c84-90(85)71-36-18-10-28-59(71)79(55-24-6-14-32-67(55)88-68-33-15-7-25-56(68)79)77-73(90)44-42-65-75(77)51-22-4-12-30-61(51)82(65)49-38-40-63-53(46-49)54-47-50(39-41-64(54)81(63)48-20-2-1-3-21-48)83-62-31-13-5-23-52(62)76-66(83)43-45-74-78(76)80(60-29-11-19-37-72(60)91(74,86)87)57-26-8-16-34-69(57)89-70-35-17-9-27-58(70)80/h1-47H
InChIKeyWTFTTZZXWFFBPW-UHFFFAOYSA-N
MW1210.41 g/mol
LogP18.25
Rot. Bonds3

About 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide

8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide (PubChem CID 140938160) has the molecular formula C80H47N3O6S2 and a molecular weight of 1210.41 g/mol. Its IUPAC name is 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide.

Molecular Properties

Compound Name8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide
PubChem CID140938160
Molecular FormulaC80H47N3O6S2
Molecular Weight1210.41 g/mol
Exact Mass1209.29
IUPAC Name8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide
SMILESO=S1(=O)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2c1ccc1c2c2ccccc2n1-c1ccc2c(c1)c1cc(-n3c4ccccc4c4c5c(ccc43)S(=O)(=O)c3ccccc3C53c4ccccc4Oc4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C80H47N3O6S2/c84-90(85)71-36-18-10-28-59(71)79(55-24-6-14-32-67(55)88-68-33-15-7-25-56(68)79)77-73(90)44-42-65-75(77)51-22-4-12-30-61(51)82(65)49-38-40-63-53(46-49)54-47-50(39-41-64(54)81(63)48-20-2-1-3-21-48)83-62-31-13-5-23-52(62)76-66(83)43-45-74-78(76)80(60-29-11-19-37-72(60)91(74,86)87)57-26-8-16-34-69(57)89-70-35-17-9-27-58(70)80/h1-47H
InChIKeyWTFTTZZXWFFBPW-UHFFFAOYSA-N
XLogP18.25
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.41
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide?
The IUPAC name of 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide (CID 140938160) is 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide.
What is the SMILES notation for 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide?
The canonical SMILES for 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide is O=S1(=O)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2c1ccc1c2c2ccccc2n1-c1ccc2c(c1)c1cc(-n3c4ccccc4c4c5c(ccc43)S(=O)(=O)c3ccccc3C53c4ccccc4Oc4ccccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide?
The InChIKey is WTFTTZZXWFFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H47N3O6S2/c84-90(85)71-36-18-10-28-59(71)79(55-24-6-14-32-67(55)88-68-33-15-7-25-56(68)79)77-73(90)44-42-65-75(77)51-22-4-12-30-61(51)82(65)49-38-40-63-53(46-49)54-47-50(39-41-64(54)81(63)48-20-2-1-3-21-48)83-62-31-13-5-23-52(62)76-66(83)43-45-74-78(76)80(60-29-11-19-37-72(60)91(74,86)87)57-26-8-16-34-69(57)89-70-35-17-9-27-58(70)80/h1-47H.
What are the key properties of 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide?
8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide has a molecular weight of 1210.41 g/mol, XLogP of 18.25, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(5,5-dioxospiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene]-8-yl)-9-phenylcarbazol-3-yl]spiro[thiochromeno[2,3-c]carbazole-13,9'-xanthene] 5,5-dioxide is sourced from PubChem (CID 140938160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).