4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C109H56F12N8S2 — CID 146520015

IUPAC4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4c(C(F)(F)F)cc(-c5ccc6c7ccc8c9ccccc9sc8c7n(-c7cc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-n8c9ccccc9c9ccc%10c%11ccccc%11sc%10c98)cc7C#N)c6c5)cc4C(F)(F)F)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3C#N)c12
InChIInChI=1S/C109H56F12N8S2/c1-124-82-31-12-8-27-74(82)98-87(124)46-44-68-62-22-5-13-32-83(62)126(100(68)98)89-54-77(92(51-59(89)55-122)127-84-33-14-6-23-63(84)69-45-47-88-99(101(69)127)75-28-9-16-35-86(75)125(88)61-20-3-2-4-21-61)97-80(108(116,117)118)48-58(49-81(97)109(119,120)121)57-38-39-65-71-41-43-73-67-26-11-18-37-95(67)131-105(73)103(71)129(91(65)50-57)90-53-76(96-78(106(110,111)112)29-19-30-79(96)107(113,114)115)93(52-60(90)56-123)128-85-34-15-7-24-64(85)70-40-42-72-66-25-10-17-36-94(66)130-104(72)102(70)128/h2-54H,1H3
InChIKeyOMCQZWZLWCOZDA-UHFFFAOYSA-N
MW1769.81 g/mol
LogP32.37
Rot. Bonds8

About 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 146520015) has the molecular formula C109H56F12N8S2 and a molecular weight of 1769.81 g/mol. Its IUPAC name is 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID146520015
Molecular FormulaC109H56F12N8S2
Molecular Weight1769.81 g/mol
Exact Mass1768.39
IUPAC Name4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4c(C(F)(F)F)cc(-c5ccc6c7ccc8c9ccccc9sc8c7n(-c7cc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-n8c9ccccc9c9ccc%10c%11ccccc%11sc%10c98)cc7C#N)c6c5)cc4C(F)(F)F)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3C#N)c12
InChIInChI=1S/C109H56F12N8S2/c1-124-82-31-12-8-27-74(82)98-87(124)46-44-68-62-22-5-13-32-83(62)126(100(68)98)89-54-77(92(51-59(89)55-122)127-84-33-14-6-23-63(84)69-45-47-88-99(101(69)127)75-28-9-16-35-86(75)125(88)61-20-3-2-4-21-61)97-80(108(116,117)118)48-58(49-81(97)109(119,120)121)57-38-39-65-71-41-43-73-67-26-11-18-37-95(67)131-105(73)103(71)129(91(65)50-57)90-53-76(96-78(106(110,111)112)29-19-30-79(96)107(113,114)115)93(52-60(90)56-123)128-85-34-15-7-24-64(85)70-40-42-72-66-25-10-17-36-94(66)130-104(72)102(70)128/h2-54H,1H3
InChIKeyOMCQZWZLWCOZDA-UHFFFAOYSA-N
XLogP32.37
TPSA77.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001769.81
LogP ≤ 532.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 146520015) is 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4c(C(F)(F)F)cc(-c5ccc6c7ccc8c9ccccc9sc8c7n(-c7cc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-n8c9ccccc9c9ccc%10c%11ccccc%11sc%10c98)cc7C#N)c6c5)cc4C(F)(F)F)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3C#N)c12.
What is the InChIKey of 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is OMCQZWZLWCOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H56F12N8S2/c1-124-82-31-12-8-27-74(82)98-87(124)46-44-68-62-22-5-13-32-83(62)126(100(68)98)89-54-77(92(51-59(89)55-122)127-84-33-14-6-23-63(84)69-45-47-88-99(101(69)127)75-28-9-16-35-86(75)125(88)61-20-3-2-4-21-61)97-80(108(116,117)118)48-58(49-81(97)109(119,120)121)57-38-39-65-71-41-43-73-67-26-11-18-37-95(67)131-105(73)103(71)129(91(65)50-57)90-53-76(96-78(106(110,111)112)29-19-30-79(96)107(113,114)115)93(52-60(90)56-123)128-85-34-15-7-24-64(85)70-40-42-72-66-25-10-17-36-94(66)130-104(72)102(70)128/h2-54H,1H3.
What are the key properties of 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 1769.81 g/mol, XLogP of 32.37, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-2-yl]-2,6-bis(trifluoromethyl)phenyl]-2-(5-methylindolo[3,2-c]carbazol-12-yl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 146520015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).