12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole

C176H100F20N8O4 — CID 157140438

IUPAC12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(C)ccc32)cc1-c1c(F)cccc1F.Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3-c3c(F)cccc3F)c2c1.Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/2C49H25F5N2O2.2C39H25F5N2/c50-27-21-26(22-28(51)23-27)35-24-40(56-38-14-6-2-10-30(38)32-18-20-44-46(48(32)56)34-12-4-8-16-42(34)58-44)36(49(52,53)54)25-39(35)55-37-13-5-1-9-29(37)31-17-19-43-45(47(31)55)33-11-3-7-15-41(33)57-43;50-27-21-26(22-28(51)23-27)37-24-42(56-40-14-6-2-10-30(40)34-18-20-36-32-12-4-8-16-44(32)58-48(36)46(34)56)38(49(52,53)54)25-41(37)55-39-13-5-1-9-29(39)33-17-19-35-31-11-3-7-15-43(31)57-47(35)45(33)55;1-22-14-16-34-26(18-22)24-8-3-5-12-32(24)45(34)36-21-29(39(42,43)44)37(20-28(36)38-30(40)10-7-11-31(38)41)46-33-13-6-4-9-25(33)27-19-23(2)15-17-35(27)46;1-22-14-16-26-24-8-3-5-12-32(24)45(34(26)18-22)36-21-29(39(42,43)44)37(20-28(36)38-30(40)10-7-11-31(38)41)46-33-13-6-4-9-25(33)27-17-15-23(2)19-35(27)46/h2*1-25H;2*3-21H,1-2H3
InChIKeyAKCXUISASPWEDF-UHFFFAOYSA-N
MW2770.75 g/mol
LogP52.21
Rot. Bonds12

About 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole

12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole (PubChem CID 157140438) has the molecular formula C176H100F20N8O4 and a molecular weight of 2770.75 g/mol. Its IUPAC name is 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
PubChem CID157140438
Molecular FormulaC176H100F20N8O4
Molecular Weight2770.75 g/mol
Exact Mass2768.75
IUPAC Name12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(C)ccc32)cc1-c1c(F)cccc1F.Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3-c3c(F)cccc3F)c2c1.Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/2C49H25F5N2O2.2C39H25F5N2/c50-27-21-26(22-28(51)23-27)35-24-40(56-38-14-6-2-10-30(38)32-18-20-44-46(48(32)56)34-12-4-8-16-42(34)58-44)36(49(52,53)54)25-39(35)55-37-13-5-1-9-29(37)31-17-19-43-45(47(31)55)33-11-3-7-15-41(33)57-43;50-27-21-26(22-28(51)23-27)37-24-42(56-40-14-6-2-10-30(40)34-18-20-36-32-12-4-8-16-44(32)58-48(36)46(34)56)38(49(52,53)54)25-41(37)55-39-13-5-1-9-29(39)33-17-19-35-31-11-3-7-15-43(31)57-47(35)45(33)55;1-22-14-16-34-26(18-22)24-8-3-5-12-32(24)45(34)36-21-29(39(42,43)44)37(20-28(36)38-30(40)10-7-11-31(38)41)46-33-13-6-4-9-25(33)27-19-23(2)15-17-35(27)46;1-22-14-16-26-24-8-3-5-12-32(24)45(34(26)18-22)36-21-29(39(42,43)44)37(20-28(36)38-30(40)10-7-11-31(38)41)46-33-13-6-4-9-25(33)27-17-15-23(2)19-35(27)46/h2*1-25H;2*3-21H,1-2H3
InChIKeyAKCXUISASPWEDF-UHFFFAOYSA-N
XLogP52.21
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002770.75
LogP ≤ 552.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole with MolForge

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Related Compounds

N,N-diethyl-5-fluoro-2-[4-[4-[4-[4-(5-fluoro-6-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3-benzoxazol-6-amine
CID 59929233
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-4-carbazol-9-yl-N-(4-fluorophenyl)aniline
CID 66585165
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
9-[3-[9-[7-(Trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
CID 71278345
5-[3-fluoro-5-(7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-N-iodyl-N-methyl-3-[1-(methylamino)ethenyl]-1-benzofuran-6-amine
CID 88907978
5-[3-fluoro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-N-iodyl-N-methyl-3-[1-(methylamino)ethenyl]-1-benzofuran-6-amine
CID 88907994
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 89965883
4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-15-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-3,16-dioxa-5,14-diazahexacyclo[9.9.2.02,6.08,21.013,17.018,22]docosa-1(21),2(6),4,7,9,11,13(17),14,18(22),19-decaene
CID 89973734
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 90213676
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(fluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 118070926
5,14,23-Trifluoro-9,18-diphenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 118634490
7-(3-fluorophenyl)-N-phenanthren-9-yl-N-[9-(9-phenylcarbazol-4-yl)dibenzofuran-4-yl]dibenzofuran-4-amine
CID 121325424

Frequently Asked Questions

What is the IUPAC name of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole?
The IUPAC name of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole (CID 157140438) is 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole?
The canonical SMILES for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(C)ccc32)cc1-c1c(F)cccc1F.Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C)cc54)cc3-c3c(F)cccc3F)c2c1.Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.
What is the InChIKey of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole?
The InChIKey is AKCXUISASPWEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H25F5N2O2.2C39H25F5N2/c50-27-21-26(22-28(51)23-27)35-24-40(56-38-14-6-2-10-30(38)32-18-20-44-46(48(32)56)34-12-4-8-16-42(34)58-44)36(49(52,53)54)25-39(35)55-37-13-5-1-9-29(37)31-17-19-43-45(47(31)55)33-11-3-7-15-41(33)57-43;50-27-21-26(22-28(51)23-27)37-24-42(56-40-14-6-2-10-30(40)34-18-20-36-32-12-4-8-16-44(32)58-48(36)46(34)56)38(49(52,53)54)25-41(37)55-39-13-5-1-9-29(39)33-17-19-35-31-11-3-7-15-43(31)57-47(35)45(33)55;1-22-14-16-34-26(18-22)24-8-3-5-12-32(24)45(34)36-21-29(39(42,43)44)37(20-28(36)38-30(40)10-7-11-31(38)41)46-33-13-6-4-9-25(33)27-19-23(2)15-17-35(27)46;1-22-14-16-26-24-8-3-5-12-32(24)45(34(26)18-22)36-21-29(39(42,43)44)37(20-28(36)38-30(40)10-7-11-31(38)41)46-33-13-6-4-9-25(33)27-17-15-23(2)19-35(27)46/h2*1-25H;2*3-21H,1-2H3.
What are the key properties of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole?
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole has a molecular weight of 2770.75 g/mol, XLogP of 52.21, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 157140438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).