4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile

C114H56F12N6O2S2 — CID 138499590

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3cc(-c4ccc5c6c7sc8ccccc8c7ccc6n(-c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc6-c6cc(C#N)ccc6-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5c4)ccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C114H56F12N6O2S2/c115-111(116,117)67-47-65(48-68(55-67)112(118,119)120)61-29-39-91(85(51-61)83-45-59(57-127)25-37-89(83)129-87-19-7-1-17-79(87)103-93(129)41-33-75-71-13-3-9-21-99(71)133-107(75)103)131-94-42-34-76-72-14-4-10-22-100(72)134-108(76)104(94)81-31-27-63(53-97(81)131)64-28-32-82-98(54-64)132(96-44-36-78-74-16-6-12-24-102(74)136-110(78)106(82)96)92-40-30-62(66-49-69(113(121,122)123)56-70(50-66)114(124,125)126)52-86(92)84-46-60(58-128)26-38-90(84)130-88-20-8-2-18-80(88)105-95(130)43-35-77-73-15-5-11-23-101(73)135-109(77)105/h1-56H
InChIKeyZLJOBGFMTPRJEP-UHFFFAOYSA-N
MW1833.85 g/mol
LogP34.76
Rot. Bonds9

About 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile

4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 138499590) has the molecular formula C114H56F12N6O2S2 and a molecular weight of 1833.85 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
PubChem CID138499590
Molecular FormulaC114H56F12N6O2S2
Molecular Weight1833.85 g/mol
Exact Mass1832.37
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3cc(-c4ccc5c6c7sc8ccccc8c7ccc6n(-c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc6-c6cc(C#N)ccc6-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5c4)ccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C114H56F12N6O2S2/c115-111(116,117)67-47-65(48-68(55-67)112(118,119)120)61-29-39-91(85(51-61)83-45-59(57-127)25-37-89(83)129-87-19-7-1-17-79(87)103-93(129)41-33-75-71-13-3-9-21-99(71)133-107(75)103)131-94-42-34-76-72-14-4-10-22-100(72)134-108(76)104(94)81-31-27-63(53-97(81)131)64-28-32-82-98(54-64)132(96-44-36-78-74-16-6-12-24-102(74)136-110(78)106(82)96)92-40-30-62(66-49-69(113(121,122)123)56-70(50-66)114(124,125)126)52-86(92)84-46-60(58-128)26-38-90(84)130-88-20-8-2-18-80(88)105-95(130)43-35-77-73-15-5-11-23-101(73)135-109(77)105/h1-56H
InChIKeyZLJOBGFMTPRJEP-UHFFFAOYSA-N
XLogP34.76
TPSA93.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001833.85
LogP ≤ 534.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 138499590) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3cc(-c4ccc5c6c7sc8ccccc8c7ccc6n(-c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc6-c6cc(C#N)ccc6-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5c4)ccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is ZLJOBGFMTPRJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H56F12N6O2S2/c115-111(116,117)67-47-65(48-68(55-67)112(118,119)120)61-29-39-91(85(51-61)83-45-59(57-127)25-37-89(83)129-87-19-7-1-17-79(87)103-93(129)41-33-75-71-13-3-9-21-99(71)133-107(75)103)131-94-42-34-76-72-14-4-10-22-100(72)134-108(76)104(94)81-31-27-63(53-97(81)131)64-28-32-82-98(54-64)132(96-44-36-78-74-16-6-12-24-102(74)136-110(78)106(82)96)92-40-30-62(66-49-69(113(121,122)123)56-70(50-66)114(124,125)126)52-86(92)84-46-60(58-128)26-38-90(84)130-88-20-8-2-18-80(88)105-95(130)43-35-77-73-15-5-11-23-101(73)135-109(77)105/h1-56H.
What are the key properties of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile has a molecular weight of 1833.85 g/mol, XLogP of 34.76, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 138499590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).