9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole

C143H70F24N22 — CID 157427510

IUPAC9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c(F)c1F
InChIInChI=1S/C53H26F8N10.2C45H22F8N6/c54-44-42(45(55)47(57)48(58)46(44)56)31-25-40(70-36-21-27(49-62-13-1-14-63-49)5-9-32(36)33-10-6-28(22-37(33)70)50-64-15-2-16-65-50)43(53(59,60)61)41(26-31)71-38-23-29(51-66-17-3-18-67-51)7-11-34(38)35-12-8-30(24-39(35)71)52-68-19-4-20-69-52;46-38-36(39(47)41(49)42(50)40(38)48)25-21-34(58-30-9-3-1-7-26(30)28-19-23(11-13-32(28)58)43-54-15-5-16-55-43)37(45(51,52)53)35(22-25)59-31-10-4-2-8-27(31)29-20-24(12-14-33(29)59)44-56-17-6-18-57-44;46-38-36(39(47)41(49)42(50)40(38)48)25-21-34(58-30-9-3-1-7-26(30)28-13-11-23(19-32(28)58)43-54-15-5-16-55-43)37(45(51,52)53)35(22-25)59-31-10-4-2-8-27(31)29-14-12-24(20-33(29)59)44-56-17-6-18-57-44/h1-26H;2*1-22H
InChIKeyBQDCBJKKAWJGCE-UHFFFAOYSA-N
MW2552.24 g/mol
LogP37.44
Rot. Bonds17

About 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole

9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole (PubChem CID 157427510) has the molecular formula C143H70F24N22 and a molecular weight of 2552.24 g/mol. Its IUPAC name is 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
PubChem CID157427510
Molecular FormulaC143H70F24N22
Molecular Weight2552.24 g/mol
Exact Mass2550.58
IUPAC Name9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c(F)c1F
InChIInChI=1S/C53H26F8N10.2C45H22F8N6/c54-44-42(45(55)47(57)48(58)46(44)56)31-25-40(70-36-21-27(49-62-13-1-14-63-49)5-9-32(36)33-10-6-28(22-37(33)70)50-64-15-2-16-65-50)43(53(59,60)61)41(26-31)71-38-23-29(51-66-17-3-18-67-51)7-11-34(38)35-12-8-30(24-39(35)71)52-68-19-4-20-69-52;46-38-36(39(47)41(49)42(50)40(38)48)25-21-34(58-30-9-3-1-7-26(30)28-19-23(11-13-32(28)58)43-54-15-5-16-55-43)37(45(51,52)53)35(22-25)59-31-10-4-2-8-27(31)29-20-24(12-14-33(29)59)44-56-17-6-18-57-44;46-38-36(39(47)41(49)42(50)40(38)48)25-21-34(58-30-9-3-1-7-26(30)28-13-11-23(19-32(28)58)43-54-15-5-16-55-43)37(45(51,52)53)35(22-25)59-31-10-4-2-8-27(31)29-14-12-24(20-33(29)59)44-56-17-6-18-57-44/h1-26H;2*1-22H
InChIKeyBQDCBJKKAWJGCE-UHFFFAOYSA-N
XLogP37.44
TPSA235.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002552.24
LogP ≤ 537.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole?
The IUPAC name of 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole (CID 157427510) is 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole?
The canonical SMILES for 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole is Fc1c(F)c(F)c(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c2)c(F)c1F.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c(F)c1F.
What is the InChIKey of 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole?
The InChIKey is BQDCBJKKAWJGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H26F8N10.2C45H22F8N6/c54-44-42(45(55)47(57)48(58)46(44)56)31-25-40(70-36-21-27(49-62-13-1-14-63-49)5-9-32(36)33-10-6-28(22-37(33)70)50-64-15-2-16-65-50)43(53(59,60)61)41(26-31)71-38-23-29(51-66-17-3-18-67-51)7-11-34(38)35-12-8-30(24-39(35)71)52-68-19-4-20-69-52;46-38-36(39(47)41(49)42(50)40(38)48)25-21-34(58-30-9-3-1-7-26(30)28-19-23(11-13-32(28)58)43-54-15-5-16-55-43)37(45(51,52)53)35(22-25)59-31-10-4-2-8-27(31)29-20-24(12-14-33(29)59)44-56-17-6-18-57-44;46-38-36(39(47)41(49)42(50)40(38)48)25-21-34(58-30-9-3-1-7-26(30)28-13-11-23(19-32(28)58)43-54-15-5-16-55-43)37(45(51,52)53)35(22-25)59-31-10-4-2-8-27(31)29-14-12-24(20-33(29)59)44-56-17-6-18-57-44/h1-26H;2*1-22H.
What are the key properties of 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole?
9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole has a molecular weight of 2552.24 g/mol, XLogP of 37.44, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[5-(2,3,4,5,6-pentafluorophenyl)-3-(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 157427510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).