12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole

C208H101F29N10O2S4 — CID 159281223

About 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 159281223) has the molecular formula C208H101F29N10O2S4 and a molecular weight of 3451.37 g/mol. Its IUPAC name is 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
• PubChem CID: 159281223
• Molecular Formula: C208H101F29N10O2S4
• Molecular Weight: 3451.37 g/mol
• Exact Mass: 3448.65
• IUPAC Name: 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
• SMILES: Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2c(F)c(F)c(F)c(F)c2F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(F)c1F
• InChI: InChI=1S/C61H32F8N4.2C49H22F8N2S2.C49H25F5N2O2/c62-54-53(55(63)57(65)58(66)56(54)64)41-31-50(73-44-24-12-8-20-36(44)38-28-30-48-52(60(38)73)40-22-10-14-26-46(40)71(48)34-17-5-2-6-18-34)42(61(67,68)69)32-49(41)72-43-23-11-7-19-35(43)37-27-29-47-51(59(37)72)39-21-9-13-25-45(39)70(47)33-15-3-1-4-16-33;50-42-41(43(51)45(53)46(54)44(42)52)29-21-34(59-32-14-6-2-10-24(32)26-18-20-38-40(48(26)59)28-12-4-8-16-36(28)61-38)30(49(55,56)57)22-33(29)58-31-13-5-1-9-23(31)25-17-19-37-39(47(25)58)27-11-3-7-15-35(27)60-37;50-40-39(41(51)43(53)44(54)42(40)52)31-21-36(59-34-14-6-2-10-24(34)28-18-20-30-26-12-4-8-16-38(26)61-48(30)46(28)59)32(49(55,56)57)22-35(31)58-33-13-5-1-9-23(33)27-17-19-29-25-11-3-7-15-37(25)60-47(29)45(27)58;1-24-22-37(56-35-15-7-3-11-26(35)30-19-21-32-28-13-5-9-17-39(28)58-49(32)47(30)56)33(40-41(50)43(52)45(54)44(53)42(40)51)23-36(24)55-34-14-6-2-10-25(34)29-18-20-31-27-12-4-8-16-38(27)57-48(31)46(29)55/h1-32H;2*1-22H;2-23H,1H3
• InChIKey: KYYCJODRRFCHCA-UHFFFAOYSA-N
• XLogP: 63.80
• TPSA: 75.58 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3451.37
LogP ≤ 5	63.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

The IUPAC name of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 159281223) is 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole is Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2c(F)c(F)c(F)c(F)c2F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(F)c1F.

What is the InChIKey of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

The InChIKey is KYYCJODRRFCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H32F8N4.2C49H22F8N2S2.C49H25F5N2O2/c62-54-53(55(63)57(65)58(66)56(54)64)41-31-50(73-44-24-12-8-20-36(44)38-28-30-48-52(60(38)73)40-22-10-14-26-46(40)71(48)34-17-5-2-6-18-34)42(61(67,68)69)32-49(41)72-43-23-11-7-19-35(43)37-27-29-47-51(59(37)72)39-21-9-13-25-45(39)70(47)33-15-3-1-4-16-33;50-42-41(43(51)45(53)46(54)44(42)52)29-21-34(59-32-14-6-2-10-24(32)26-18-20-38-40(48(26)59)28-12-4-8-16-36(28)61-38)30(49(55,56)57)22-33(29)58-31-13-5-1-9-23(31)25-17-19-37-39(47(25)58)27-11-3-7-15-35(27)60-37;50-40-39(41(51)43(53)44(54)42(40)52)31-21-36(59-34-14-6-2-10-24(34)28-18-20-30-26-12-4-8-16-38(26)61-48(30)46(28)59)32(49(55,56)57)22-35(31)58-33-13-5-1-9-23(33)27-17-19-29-25-11-3-7-15-37(25)60-47(29)45(27)58;1-24-22-37(56-35-15-7-3-11-26(35)30-19-21-32-28-13-5-9-17-39(28)58-49(32)47(30)56)33(40-41(50)43(52)45(54)44(53)42(40)51)23-36(24)55-34-14-6-2-10-25(34)29-18-20-31-27-12-4-8-16-38(27)57-48(31)46(29)55/h1-32H;2*1-22H;2-23H,1H3.

What are the key properties of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 3451.37 g/mol, XLogP of 63.80, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159281223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).