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

C69H43F2N3S2 — CID 139552888

IUPAC5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3S2/c1-69(2,74-54-31-15-5-19-40(54)41-20-6-16-32-55(41)74)66-62(46-23-3-11-27-50(46)70)58(72-52-29-13-7-25-48(52)64-56(72)37-35-44-42-21-9-17-33-60(42)75-67(44)64)39-59(63(66)47-24-4-12-28-51(47)71)73-53-30-14-8-26-49(53)65-57(73)38-36-45-43-22-10-18-34-61(43)76-68(45)65/h3-39H,1-2H3
InChIKeyVXMIXWXUCPBLHA-UHFFFAOYSA-N
MW1016.25 g/mol
LogP20.12
Rot. Bonds6

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

5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 139552888) has the molecular formula C69H43F2N3S2 and a molecular weight of 1016.25 g/mol. Its IUPAC name is 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID139552888
Molecular FormulaC69H43F2N3S2
Molecular Weight1016.25 g/mol
Exact Mass1015.29
IUPAC Name5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C69H43F2N3S2/c1-69(2,74-54-31-15-5-19-40(54)41-20-6-16-32-55(41)74)66-62(46-23-3-11-27-50(46)70)58(72-52-29-13-7-25-48(52)64-56(72)37-35-44-42-21-9-17-33-60(42)75-67(44)64)39-59(63(66)47-24-4-12-28-51(47)71)73-53-30-14-8-26-49(53)65-57(73)38-36-45-43-22-10-18-34-61(43)76-68(45)65/h3-39H,1-2H3
InChIKeyVXMIXWXUCPBLHA-UHFFFAOYSA-N
XLogP20.12
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.25
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-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-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 139552888) is 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is CC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1ccccc1F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is VXMIXWXUCPBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3S2/c1-69(2,74-54-31-15-5-19-40(54)41-20-6-16-32-55(41)74)66-62(46-23-3-11-27-50(46)70)58(72-52-29-13-7-25-48(52)64-56(72)37-35-44-42-21-9-17-33-60(42)75-67(44)64)39-59(63(66)47-24-4-12-28-51(47)71)73-53-30-14-8-26-49(53)65-57(73)38-36-45-43-22-10-18-34-61(43)76-68(45)65/h3-39H,1-2H3.
What are the key properties of 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1016.25 g/mol, XLogP of 20.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 139552888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).