12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole

C196H104F24N8O4 — CID 159679160

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c(F)c1F.Fc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.Fc1ccccc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/2C49H22F8N2O2.2C49H30F4N2/c50-42-38(43(51)45(53)46(54)44(42)52)23-21-32(58-30-13-5-1-9-24(30)26-17-19-36-39(47(26)58)28-11-3-7-15-34(28)60-36)41(49(55,56)57)33(22-23)59-31-14-6-2-10-25(31)27-18-20-37-40(48(27)59)29-12-4-8-16-35(29)61-37;50-40-38(41(51)43(53)44(54)42(40)52)23-21-34(58-32-13-5-1-9-24(32)28-17-19-30-26-11-3-7-15-36(26)60-47(30)45(28)58)39(49(55,56)57)35(22-23)59-33-14-6-2-10-25(33)29-18-20-31-27-12-4-8-16-37(27)61-48(31)46(29)59;50-41-20-10-7-17-36(41)35-29-46(54-42-21-11-8-18-37(42)39-27-33(23-25-44(39)54)31-13-3-1-4-14-31)48(49(51,52)53)47(30-35)55-43-22-12-9-19-38(43)40-28-34(24-26-45(40)55)32-15-5-2-6-16-32;50-41-20-10-7-17-36(41)35-29-46(54-42-21-11-8-18-37(42)39-25-23-33(27-44(39)54)31-13-3-1-4-14-31)48(49(51,52)53)47(30-35)55-43-22-12-9-19-38(43)40-26-24-34(28-45(40)55)32-15-5-2-6-16-32/h2*1-22H;2*1-30H
InChIKeyMUZNKKPDNFYAGN-UHFFFAOYSA-N
MW3090.99 g/mol
LogP58.20
Rot. Bonds16

About 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole (PubChem CID 159679160) has the molecular formula C196H104F24N8O4 and a molecular weight of 3090.99 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole
PubChem CID159679160
Molecular FormulaC196H104F24N8O4
Molecular Weight3090.99 g/mol
Exact Mass3088.78
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c(F)c1F.Fc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.Fc1ccccc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/2C49H22F8N2O2.2C49H30F4N2/c50-42-38(43(51)45(53)46(54)44(42)52)23-21-32(58-30-13-5-1-9-24(30)26-17-19-36-39(47(26)58)28-11-3-7-15-34(28)60-36)41(49(55,56)57)33(22-23)59-31-14-6-2-10-25(31)27-18-20-37-40(48(27)59)29-12-4-8-16-35(29)61-37;50-40-38(41(51)43(53)44(54)42(40)52)23-21-34(58-32-13-5-1-9-24(32)28-17-19-30-26-11-3-7-15-36(26)60-47(30)45(28)58)39(49(55,56)57)35(22-23)59-33-14-6-2-10-25(33)29-18-20-31-27-12-4-8-16-37(27)61-48(31)46(29)59;50-41-20-10-7-17-36(41)35-29-46(54-42-21-11-8-18-37(42)39-27-33(23-25-44(39)54)31-13-3-1-4-14-31)48(49(51,52)53)47(30-35)55-43-22-12-9-19-38(43)40-28-34(24-26-45(40)55)32-15-5-2-6-16-32;50-41-20-10-7-17-36(41)35-29-46(54-42-21-11-8-18-37(42)39-25-23-33(27-44(39)54)31-13-3-1-4-14-31)48(49(51,52)53)47(30-35)55-43-22-12-9-19-38(43)40-26-24-34(28-45(40)55)32-15-5-2-6-16-32/h2*1-22H;2*1-30H
InChIKeyMUZNKKPDNFYAGN-UHFFFAOYSA-N
XLogP58.20
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003090.99
LogP ≤ 558.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole?
The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole (CID 159679160) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole is Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c(F)c1F.Fc1ccccc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.Fc1ccccc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole?
The InChIKey is MUZNKKPDNFYAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H22F8N2O2.2C49H30F4N2/c50-42-38(43(51)45(53)46(54)44(42)52)23-21-32(58-30-13-5-1-9-24(30)26-17-19-36-39(47(26)58)28-11-3-7-15-34(28)60-36)41(49(55,56)57)33(22-23)59-31-14-6-2-10-25(31)27-18-20-37-40(48(27)59)29-12-4-8-16-35(29)61-37;50-40-38(41(51)43(53)44(54)42(40)52)23-21-34(58-32-13-5-1-9-24(32)28-17-19-30-26-11-3-7-15-36(26)60-47(30)45(28)58)39(49(55,56)57)35(22-23)59-33-14-6-2-10-25(33)29-18-20-31-27-12-4-8-16-37(27)61-48(31)46(29)59;50-41-20-10-7-17-36(41)35-29-46(54-42-21-11-8-18-37(42)39-27-33(23-25-44(39)54)31-13-3-1-4-14-31)48(49(51,52)53)47(30-35)55-43-22-12-9-19-38(43)40-28-34(24-26-45(40)55)32-15-5-2-6-16-32;50-41-20-10-7-17-36(41)35-29-46(54-42-21-11-8-18-37(42)39-25-23-33(27-44(39)54)31-13-3-1-4-14-31)48(49(51,52)53)47(30-35)55-43-22-12-9-19-38(43)40-26-24-34(28-45(40)55)32-15-5-2-6-16-32/h2*1-22H;2*1-30H.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole has a molecular weight of 3090.99 g/mol, XLogP of 58.20, 16 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-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[5-(2-fluorophenyl)-3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[5-(2-fluorophenyl)-3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 159679160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).