9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

C88H72F3N5 — CID 138554400

IUPAC9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)cccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C88H72F3N5/c1-49-37-53(5)79(54(6)38-49)63-29-33-73-68(45-63)69-46-64(80-55(7)39-50(2)40-56(80)8)30-34-74(69)95(73)77-27-19-25-67(87-93-85(61-21-15-13-16-22-61)92-86(94-87)62-23-17-14-18-24-62)83(77)84-72(88(89,90)91)26-20-28-78(84)96-75-35-31-65(81-57(9)41-51(3)42-58(81)10)47-70(75)71-48-66(32-36-76(71)96)82-59(11)43-52(4)44-60(82)12/h13-48H,1-12H3
InChIKeyATMCESNTIWHCQD-UHFFFAOYSA-N
MW1256.57 g/mol
LogP24.12
Rot. Bonds10

About 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 138554400) has the molecular formula C88H72F3N5 and a molecular weight of 1256.57 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
PubChem CID138554400
Molecular FormulaC88H72F3N5
Molecular Weight1256.57 g/mol
Exact Mass1255.57
IUPAC Name9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)cccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C88H72F3N5/c1-49-37-53(5)79(54(6)38-49)63-29-33-73-68(45-63)69-46-64(80-55(7)39-50(2)40-56(80)8)30-34-74(69)95(73)77-27-19-25-67(87-93-85(61-21-15-13-16-22-61)92-86(94-87)62-23-17-14-18-24-62)83(77)84-72(88(89,90)91)26-20-28-78(84)96-75-35-31-65(81-57(9)41-51(3)42-58(81)10)47-70(75)71-48-66(32-36-76(71)96)82-59(11)43-52(4)44-60(82)12/h13-48H,1-12H3
InChIKeyATMCESNTIWHCQD-UHFFFAOYSA-N
XLogP24.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001256.57
LogP ≤ 524.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole with MolForge

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Related Compounds

9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138554263
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 154603135
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138554302
9-[2-[3-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166899924
9-[2-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(3,5-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole
CID 155279508
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138486817
9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 137420761
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170665019
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 162611758
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138554823

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (CID 138554400) is 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)cccc2C(F)(F)F)c(C)c1.
What is the InChIKey of 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The InChIKey is ATMCESNTIWHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72F3N5/c1-49-37-53(5)79(54(6)38-49)63-29-33-73-68(45-63)69-46-64(80-55(7)39-50(2)40-56(80)8)30-34-74(69)95(73)77-27-19-25-67(87-93-85(61-21-15-13-16-22-61)92-86(94-87)62-23-17-14-18-24-62)83(77)84-72(88(89,90)91)26-20-28-78(84)96-75-35-31-65(81-57(9)41-51(3)42-58(81)10)47-70(75)71-48-66(32-36-76(71)96)82-59(11)43-52(4)44-60(82)12/h13-48H,1-12H3.
What are the key properties of 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1256.57 g/mol, XLogP of 24.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 138554400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).