12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole

C147H75F15N6O4S2 — CID 161467243

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
SMILESFc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1
InChIInChI=1S/2C49H25F5N2O2.C49H25F5N2S2/c50-33-14-9-15-34(51)43(33)26-24-37(55-35-16-5-1-10-27(35)29-20-22-41-44(47(29)55)31-12-3-7-18-39(31)57-41)46(49(52,53)54)38(25-26)56-36-17-6-2-11-28(36)30-21-23-42-45(48(30)56)32-13-4-8-19-40(32)58-42;50-35-14-9-15-36(51)43(35)26-24-39(55-37-16-5-1-10-27(37)31-20-22-33-29-12-3-7-18-41(29)57-47(33)45(31)55)44(49(52,53)54)40(25-26)56-38-17-6-2-11-28(38)32-21-23-34-30-13-4-8-19-42(30)58-48(34)46(32)56;50-33-14-9-15-34(51)43(33)26-24-37(55-35-16-5-1-10-27(35)29-20-22-41-44(47(29)55)31-12-3-7-18-39(31)57-41)46(49(52,53)54)38(25-26)56-36-17-6-2-11-28(36)30-21-23-42-45(48(30)56)32-13-4-8-19-40(32)58-42/h3*1-25H
InChIKeyWCPFMGGEOJVMFE-UHFFFAOYSA-N
MW2338.36 g/mol
LogP44.87
Rot. Bonds9

About 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole (PubChem CID 161467243) has the molecular formula C147H75F15N6O4S2 and a molecular weight of 2338.36 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
PubChem CID161467243
Molecular FormulaC147H75F15N6O4S2
Molecular Weight2338.36 g/mol
Exact Mass2336.51
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
SMILESFc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1
InChIInChI=1S/2C49H25F5N2O2.C49H25F5N2S2/c50-33-14-9-15-34(51)43(33)26-24-37(55-35-16-5-1-10-27(35)29-20-22-41-44(47(29)55)31-12-3-7-18-39(31)57-41)46(49(52,53)54)38(25-26)56-36-17-6-2-11-28(36)30-21-23-42-45(48(30)56)32-13-4-8-19-40(32)58-42;50-35-14-9-15-36(51)43(35)26-24-39(55-37-16-5-1-10-27(37)31-20-22-33-29-12-3-7-18-41(29)57-47(33)45(31)55)44(49(52,53)54)40(25-26)56-38-17-6-2-11-28(38)32-21-23-34-30-13-4-8-19-42(30)58-48(34)46(32)56;50-33-14-9-15-34(51)43(33)26-24-37(55-35-16-5-1-10-27(35)29-20-22-41-44(47(29)55)31-12-3-7-18-39(31)57-41)46(49(52,53)54)38(25-26)56-36-17-6-2-11-28(36)30-21-23-42-45(48(30)56)32-13-4-8-19-40(32)58-42/h3*1-25H
InChIKeyWCPFMGGEOJVMFE-UHFFFAOYSA-N
XLogP44.87
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.36
LogP ≤ 544.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole (CID 161467243) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole is Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is WCPFMGGEOJVMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H25F5N2O2.C49H25F5N2S2/c50-33-14-9-15-34(51)43(33)26-24-37(55-35-16-5-1-10-27(35)29-20-22-41-44(47(29)55)31-12-3-7-18-39(31)57-41)46(49(52,53)54)38(25-26)56-36-17-6-2-11-28(36)30-21-23-42-45(48(30)56)32-13-4-8-19-40(32)58-42;50-35-14-9-15-36(51)43(35)26-24-39(55-37-16-5-1-10-27(37)31-20-22-33-29-12-3-7-18-41(29)57-47(33)45(31)55)44(49(52,53)54)40(25-26)56-38-17-6-2-11-28(38)32-21-23-34-30-13-4-8-19-42(30)58-48(34)46(32)56;50-33-14-9-15-34(51)43(33)26-24-37(55-35-16-5-1-10-27(35)29-20-22-41-44(47(29)55)31-12-3-7-18-39(31)57-41)46(49(52,53)54)38(25-26)56-36-17-6-2-11-28(36)30-21-23-42-45(48(30)56)32-13-4-8-19-40(32)58-42/h3*1-25H.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 2338.36 g/mol, XLogP of 44.87, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 161467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).