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

C189H119F18N11 — CID 159040999

IUPAC3,6-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
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C72H43F6N5.C62H41F6N3.C55H35F6N3/c73-71(74,75)59-29-13-7-23-49(59)57-39-46(70-79-61(44-19-3-1-4-20-44)43-62(80-70)45-21-5-2-6-22-45)40-58(50-24-8-14-30-60(50)72(76,77)78)69(57)83-67-37-35-47(81-63-31-15-9-25-51(63)52-26-10-16-32-64(52)81)41-55(67)56-42-48(36-38-68(56)83)82-65-33-17-11-27-53(65)54-28-12-18-34-66(54)82;1-38-17-9-11-23-45(38)42-29-31-57-49(33-42)50-34-43(46-24-12-10-18-39(46)2)30-32-58(50)71(57)59-51(47-25-13-15-27-53(47)61(63,64)65)35-44(36-52(59)48-26-14-16-28-54(48)62(66,67)68)60-69-55(40-19-5-3-6-20-40)37-56(70-60)41-21-7-4-8-22-41;1-34-16-8-9-21-39(34)37-28-29-51-43(30-37)42-24-12-15-27-50(42)64(51)52-44(40-22-10-13-25-46(40)54(56,57)58)31-38(32-45(52)41-23-11-14-26-47(41)55(59,60)61)53-62-48(35-17-4-2-5-18-35)33-49(63-53)36-19-6-3-7-20-36/h1-43H;3-37H,1-2H3;2-33H,1H3
InChIKeyJWBBDHOKKANWMK-UHFFFAOYSA-N
MW2886.07 g/mol
LogP53.96
Rot. Bonds23

About 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

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 (PubChem CID 159040999) has the molecular formula C189H119F18N11 and a molecular weight of 2886.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID159040999
Molecular FormulaC189H119F18N11
Molecular Weight2886.07 g/mol
Exact Mass2883.94
IUPAC Name3,6-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
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C72H43F6N5.C62H41F6N3.C55H35F6N3/c73-71(74,75)59-29-13-7-23-49(59)57-39-46(70-79-61(44-19-3-1-4-20-44)43-62(80-70)45-21-5-2-6-22-45)40-58(50-24-8-14-30-60(50)72(76,77)78)69(57)83-67-37-35-47(81-63-31-15-9-25-51(63)52-26-10-16-32-64(52)81)41-55(67)56-42-48(36-38-68(56)83)82-65-33-17-11-27-53(65)54-28-12-18-34-66(54)82;1-38-17-9-11-23-45(38)42-29-31-57-49(33-42)50-34-43(46-24-12-10-18-39(46)2)30-32-58(50)71(57)59-51(47-25-13-15-27-53(47)61(63,64)65)35-44(36-52(59)48-26-14-16-28-54(48)62(66,67)68)60-69-55(40-19-5-3-6-20-40)37-56(70-60)41-21-7-4-8-22-41;1-34-16-8-9-21-39(34)37-28-29-51-43(30-37)42-24-12-15-27-50(42)64(51)52-44(40-22-10-13-25-46(40)54(56,57)58)31-38(32-45(52)41-23-11-14-26-47(41)55(59,60)61)53-62-48(35-17-4-2-5-18-35)33-49(63-53)36-19-6-3-7-20-36/h1-43H;3-37H,1-2H3;2-33H,1H3
InChIKeyJWBBDHOKKANWMK-UHFFFAOYSA-N
XLogP53.96
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002886.07
LogP ≤ 553.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447541
3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167055278
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)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155447054
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-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 156509806
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-[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
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 162573721
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146280880

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 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?
The InChIKey is JWBBDHOKKANWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43F6N5.C62H41F6N3.C55H35F6N3/c73-71(74,75)59-29-13-7-23-49(59)57-39-46(70-79-61(44-19-3-1-4-20-44)43-62(80-70)45-21-5-2-6-22-45)40-58(50-24-8-14-30-60(50)72(76,77)78)69(57)83-67-37-35-47(81-63-31-15-9-25-51(63)52-26-10-16-32-64(52)81)41-55(67)56-42-48(36-38-68(56)83)82-65-33-17-11-27-53(65)54-28-12-18-34-66(54)82;1-38-17-9-11-23-45(38)42-29-31-57-49(33-42)50-34-43(46-24-12-10-18-39(46)2)30-32-58(50)71(57)59-51(47-25-13-15-27-53(47)61(63,64)65)35-44(36-52(59)48-26-14-16-28-54(48)62(66,67)68)60-69-55(40-19-5-3-6-20-40)37-56(70-60)41-21-7-4-8-22-41;1-34-16-8-9-21-39(34)37-28-29-51-43(30-37)42-24-12-15-27-50(42)64(51)52-44(40-22-10-13-25-46(40)54(56,57)58)31-38(32-45(52)41-23-11-14-26-47(41)55(59,60)61)53-62-48(35-17-4-2-5-18-35)33-49(63-53)36-19-6-3-7-20-36/h1-43H;3-37H,1-2H3;2-33H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2886.07 g/mol, XLogP of 53.96, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159040999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).