9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane

C196H117F14N33 — CID 157194823

IUPAC9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane
SMILESC.Cc1cc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncncn4)cc32)cc1-c1c(F)cccc1F.Cc1cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc1-c1c(F)cccc1F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)cc1C(F)(F)F
InChIInChI=1S/C53H32F2N10.C52H31F2N11.2C45H25F5N6.CH4/c1-31-25-47(64-43-13-9-32(50-56-17-3-18-57-50)26-37(43)38-27-33(10-14-44(38)64)51-58-19-4-20-59-51)48(30-36(31)49-41(54)7-2-8-42(49)55)65-45-15-11-34(52-60-21-5-22-61-52)28-39(45)40-29-35(12-16-46(40)65)53-62-23-6-24-63-53;1-30-22-46(64-42-23-31(49-56-16-3-17-57-49)8-12-35(42)36-13-9-32(24-43(36)64)50-58-18-4-19-59-50)47(27-39(30)48-40(53)6-2-7-41(48)54)65-44-25-33(51-60-20-5-21-61-51)10-14-37(44)38-15-11-34(26-45(38)65)52-62-28-55-29-63-52;46-34-10-5-11-35(47)42(34)32-24-40(55-36-12-3-1-8-28(36)30-22-26(14-16-38(30)55)43-51-18-6-19-52-43)41(25-33(32)45(48,49)50)56-37-13-4-2-9-29(37)31-23-27(15-17-39(31)56)44-53-20-7-21-54-44;46-34-10-5-11-35(47)42(34)32-24-40(55-36-12-3-1-8-28(36)30-16-14-26(22-38(30)55)43-51-18-6-19-52-43)41(25-33(32)45(48,49)50)56-37-13-4-2-9-29(37)31-17-15-27(23-39(31)56)44-53-20-7-21-54-44;/h2-30H,1H3;2-29H,1H3;2*1-25H;1H4
InChIKeyAQCVIKOHMSRDJA-UHFFFAOYSA-N
MW3200.29 g/mol
LogP47.47
Rot. Bonds24

About 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane

9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane (PubChem CID 157194823) has the molecular formula C196H117F14N33 and a molecular weight of 3200.29 g/mol. Its IUPAC name is 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane.

Molecular Properties

Compound Name9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane
PubChem CID157194823
Molecular FormulaC196H117F14N33
Molecular Weight3200.29 g/mol
Exact Mass3197.99
IUPAC Name9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane
SMILESC.Cc1cc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncncn4)cc32)cc1-c1c(F)cccc1F.Cc1cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc1-c1c(F)cccc1F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)cc1C(F)(F)F
InChIInChI=1S/C53H32F2N10.C52H31F2N11.2C45H25F5N6.CH4/c1-31-25-47(64-43-13-9-32(50-56-17-3-18-57-50)26-37(43)38-27-33(10-14-44(38)64)51-58-19-4-20-59-51)48(30-36(31)49-41(54)7-2-8-42(49)55)65-45-15-11-34(52-60-21-5-22-61-52)28-39(45)40-29-35(12-16-46(40)65)53-62-23-6-24-63-53;1-30-22-46(64-42-23-31(49-56-16-3-17-57-49)8-12-35(42)36-13-9-32(24-43(36)64)50-58-18-4-19-59-50)47(27-39(30)48-40(53)6-2-7-41(48)54)65-44-25-33(51-60-20-5-21-61-51)10-14-37(44)38-15-11-34(26-45(38)65)52-62-28-55-29-63-52;46-34-10-5-11-35(47)42(34)32-24-40(55-36-12-3-1-8-28(36)30-22-26(14-16-38(30)55)43-51-18-6-19-52-43)41(25-33(32)45(48,49)50)56-37-13-4-2-9-29(37)31-23-27(15-17-39(31)56)44-53-20-7-21-54-44;46-34-10-5-11-35(47)42(34)32-24-40(55-36-12-3-1-8-28(36)30-16-14-26(22-38(30)55)43-51-18-6-19-52-43)41(25-33(32)45(48,49)50)56-37-13-4-2-9-29(37)31-17-15-27(23-39(31)56)44-53-20-7-21-54-44;/h2-30H,1H3;2-29H,1H3;2*1-25H;1H4
InChIKeyAQCVIKOHMSRDJA-UHFFFAOYSA-N
XLogP47.47
TPSA361.69 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003200.29
LogP ≤ 547.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane?
The IUPAC name of 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane (CID 157194823) is 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane.
What is the SMILES notation for 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane?
The canonical SMILES for 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane is C.Cc1cc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncncn4)cc32)cc1-c1c(F)cccc1F.Cc1cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc1-c1c(F)cccc1F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)cc1C(F)(F)F.
What is the InChIKey of 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane?
The InChIKey is AQCVIKOHMSRDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32F2N10.C52H31F2N11.2C45H25F5N6.CH4/c1-31-25-47(64-43-13-9-32(50-56-17-3-18-57-50)26-37(43)38-27-33(10-14-44(38)64)51-58-19-4-20-59-51)48(30-36(31)49-41(54)7-2-8-42(49)55)65-45-15-11-34(52-60-21-5-22-61-52)28-39(45)40-29-35(12-16-46(40)65)53-62-23-6-24-63-53;1-30-22-46(64-42-23-31(49-56-16-3-17-57-49)8-12-35(42)36-13-9-32(24-43(36)64)50-58-18-4-19-59-50)47(27-39(30)48-40(53)6-2-7-41(48)54)65-44-25-33(51-60-20-5-21-61-51)10-14-37(44)38-15-11-34(26-45(38)65)52-62-28-55-29-63-52;46-34-10-5-11-35(47)42(34)32-24-40(55-36-12-3-1-8-28(36)30-22-26(14-16-38(30)55)43-51-18-6-19-52-43)41(25-33(32)45(48,49)50)56-37-13-4-2-9-29(37)31-23-27(15-17-39(31)56)44-53-20-7-21-54-44;46-34-10-5-11-35(47)42(34)32-24-40(55-36-12-3-1-8-28(36)30-16-14-26(22-38(30)55)43-51-18-6-19-52-43)41(25-33(32)45(48,49)50)56-37-13-4-2-9-29(37)31-17-15-27(23-39(31)56)44-53-20-7-21-54-44;/h2-30H,1H3;2-29H,1H3;2*1-25H;1H4.
What are the key properties of 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane?
9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane has a molecular weight of 3200.29 g/mol, XLogP of 47.47, 24 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane is sourced from PubChem (CID 157194823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).