5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole

C84H56F2N4S2 — CID 139552872

IUPAC5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C84H56F2N4S2/c1-83(2,89-65-39-19-7-25-49(65)50-26-8-20-40-66(50)89)77-75(57-31-5-15-35-61(57)85)79(87-63-37-17-11-33-59(63)73-69(87)47-45-55-53-29-13-23-43-71(53)91-81(55)73)78(84(3,4)90-67-41-21-9-27-51(67)52-28-10-22-42-68(52)90)80(76(77)58-32-6-16-36-62(58)86)88-64-38-18-12-34-60(64)74-70(88)48-46-56-54-30-14-24-44-72(54)92-82(56)74/h5-48H,1-4H3
InChIKeyRLQJPAYCLFMMGP-UHFFFAOYSA-N
MW1223.53 g/mol
LogP24.01
Rot. Bonds8

About 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole

5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 139552872) has the molecular formula C84H56F2N4S2 and a molecular weight of 1223.53 g/mol. Its IUPAC name is 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID139552872
Molecular FormulaC84H56F2N4S2
Molecular Weight1223.53 g/mol
Exact Mass1222.39
IUPAC Name5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C84H56F2N4S2/c1-83(2,89-65-39-19-7-25-49(65)50-26-8-20-40-66(50)89)77-75(57-31-5-15-35-61(57)85)79(87-63-37-17-11-33-59(63)73-69(87)47-45-55-53-29-13-23-43-71(53)91-81(55)73)78(84(3,4)90-67-41-21-9-27-51(67)52-28-10-22-42-68(52)90)80(76(77)58-32-6-16-36-62(58)86)88-64-38-18-12-34-60(64)74-70(88)48-46-56-54-30-14-24-44-72(54)92-82(56)74/h5-48H,1-4H3
InChIKeyRLQJPAYCLFMMGP-UHFFFAOYSA-N
XLogP24.01
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.53
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 139552872) is 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is CC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is RLQJPAYCLFMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56F2N4S2/c1-83(2,89-65-39-19-7-25-49(65)50-26-8-20-40-66(50)89)77-75(57-31-5-15-35-61(57)85)79(87-63-37-17-11-33-59(63)73-69(87)47-45-55-53-29-13-23-43-71(53)91-81(55)73)78(84(3,4)90-67-41-21-9-27-51(67)52-28-10-22-42-68(52)90)80(76(77)58-32-6-16-36-62(58)86)88-64-38-18-12-34-60(64)74-70(88)48-46-56-54-30-14-24-44-72(54)92-82(56)74/h5-48H,1-4H3.
What are the key properties of 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1223.53 g/mol, XLogP of 24.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 139552872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).