9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole

C122H83F15N6 — CID 159711815

IUPAC9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C66H49F6N3.C56H34F9N3/c1-38-29-40(3)61(41(4)30-38)46-25-27-59-51(33-46)52-34-47(62-42(5)31-39(2)32-43(62)6)26-28-60(52)75(59)63-53(49-21-13-15-23-55(49)65(67,68)69)35-48(36-54(63)50-22-14-16-24-56(50)66(70,71)72)64-73-57(44-17-9-7-10-18-44)37-58(74-64)45-19-11-8-12-20-45;1-33-26-37(28-39(27-33)54(57,58)59)36-24-25-51-43(29-36)42-20-10-13-23-50(42)68(51)52-44(40-18-8-11-21-46(40)55(60,61)62)30-38(31-45(52)41-19-9-12-22-47(41)56(63,64)65)53-66-48(34-14-4-2-5-15-34)32-49(67-53)35-16-6-3-7-17-35/h7-37H,1-6H3;2-32H,1H3
InChIKeyMYXXOUTVUPINMF-UHFFFAOYSA-N
MW1918.02 g/mol
LogP36.07
Rot. Bonds15

About 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole

9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 159711815) has the molecular formula C122H83F15N6 and a molecular weight of 1918.02 g/mol. Its IUPAC name is 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
PubChem CID159711815
Molecular FormulaC122H83F15N6
Molecular Weight1918.02 g/mol
Exact Mass1916.64
IUPAC Name9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C66H49F6N3.C56H34F9N3/c1-38-29-40(3)61(41(4)30-38)46-25-27-59-51(33-46)52-34-47(62-42(5)31-39(2)32-43(62)6)26-28-60(52)75(59)63-53(49-21-13-15-23-55(49)65(67,68)69)35-48(36-54(63)50-22-14-16-24-56(50)66(70,71)72)64-73-57(44-17-9-7-10-18-44)37-58(74-64)45-19-11-8-12-20-45;1-33-26-37(28-39(27-33)54(57,58)59)36-24-25-51-43(29-36)42-20-10-13-23-50(42)68(51)52-44(40-18-8-11-21-46(40)55(60,61)62)30-38(31-45(52)41-19-9-12-22-47(41)56(63,64)65)53-66-48(34-14-4-2-5-15-34)32-49(67-53)35-16-6-3-7-17-35/h7-37H,1-6H3;2-32H,1H3
InChIKeyMYXXOUTVUPINMF-UHFFFAOYSA-N
XLogP36.07
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.02
LogP ≤ 536.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160611449
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155447127
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823
4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 157289693
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 159040999
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 156511377
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447546
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 156511503
9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155447054
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 161070492
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138555653
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166786535

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (CID 159711815) is 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is MYXXOUTVUPINMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49F6N3.C56H34F9N3/c1-38-29-40(3)61(41(4)30-38)46-25-27-59-51(33-46)52-34-47(62-42(5)31-39(2)32-43(62)6)26-28-60(52)75(59)63-53(49-21-13-15-23-55(49)65(67,68)69)35-48(36-54(63)50-22-14-16-24-56(50)66(70,71)72)64-73-57(44-17-9-7-10-18-44)37-58(74-64)45-19-11-8-12-20-45;1-33-26-37(28-39(27-33)54(57,58)59)36-24-25-51-43(29-36)42-20-10-13-23-50(42)68(51)52-44(40-18-8-11-21-46(40)55(60,61)62)30-38(31-45(52)41-19-9-12-22-47(41)56(63,64)65)53-66-48(34-14-4-2-5-15-34)32-49(67-53)35-16-6-3-7-17-35/h7-37H,1-6H3;2-32H,1H3.
What are the key properties of 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1918.02 g/mol, XLogP of 36.07, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 159711815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).