2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole

C175H106F18N12S3 — CID 158731428

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C61H35F9N4S.C61H38F6N4S.C53H33F3N4S/c1-34-25-40(27-42(26-34)59(62,63)64)37-19-22-46-47-23-20-38(41-28-43(60(65,66)67)33-44(29-41)61(68,69)70)32-53(47)74(52(46)31-37)51-24-21-39(45-16-10-17-49-48-15-8-9-18-54(48)75-55(45)49)30-50(51)58-72-56(35-11-4-2-5-12-35)71-57(73-58)36-13-6-3-7-14-36;1-35-26-42(30-44(28-35)60(62,63)64)39-20-23-52-49(32-39)50-33-40(43-27-36(2)29-45(31-43)61(65,66)67)21-24-53(50)71(52)54-25-22-41(46-17-11-18-48-47-16-9-10-19-55(47)72-56(46)48)34-51(54)59-69-57(37-12-5-3-6-13-37)68-58(70-59)38-14-7-4-8-15-38;1-32-23-26-37(44(29-32)53(54,55)56)36-24-27-40-39-17-8-10-21-45(39)60(47(40)31-36)46-28-25-35(38-19-12-20-42-41-18-9-11-22-48(41)61-49(38)42)30-43(46)52-58-50(33-13-4-2-5-14-33)57-51(59-52)34-15-6-3-7-16-34/h2-33H,1H3;3-34H,1-2H3;2-31H,1H3
InChIKeyILDMGMFHHPIOFC-UHFFFAOYSA-N
MW2815.02 g/mol
LogP51.70
Rot. Bonds20

About 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole

2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 158731428) has the molecular formula C175H106F18N12S3 and a molecular weight of 2815.02 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
PubChem CID158731428
Molecular FormulaC175H106F18N12S3
Molecular Weight2815.02 g/mol
Exact Mass2812.75
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C61H35F9N4S.C61H38F6N4S.C53H33F3N4S/c1-34-25-40(27-42(26-34)59(62,63)64)37-19-22-46-47-23-20-38(41-28-43(60(65,66)67)33-44(29-41)61(68,69)70)32-53(47)74(52(46)31-37)51-24-21-39(45-16-10-17-49-48-15-8-9-18-54(48)75-55(45)49)30-50(51)58-72-56(35-11-4-2-5-12-35)71-57(73-58)36-13-6-3-7-14-36;1-35-26-42(30-44(28-35)60(62,63)64)39-20-23-52-49(32-39)50-33-40(43-27-36(2)29-45(31-43)61(65,66)67)21-24-53(50)71(52)54-25-22-41(46-17-11-18-48-47-16-9-10-19-55(47)72-56(46)48)34-51(54)59-69-57(37-12-5-3-6-13-37)68-58(70-59)38-14-7-4-8-15-38;1-32-23-26-37(44(29-32)53(54,55)56)36-24-27-40-39-17-8-10-21-45(39)60(47(40)31-36)46-28-25-35(38-19-12-20-42-41-18-9-11-22-48(41)61-49(38)42)30-43(46)52-58-50(33-13-4-2-5-14-33)57-51(59-52)34-15-6-3-7-16-34/h2-33H,1H3;3-34H,1-2H3;2-31H,1H3
InChIKeyILDMGMFHHPIOFC-UHFFFAOYSA-N
XLogP51.70
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002815.02
LogP ≤ 551.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,15,21,25-tetrakis(3-methylthiophen-2-yl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene
CID 139095708
7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,15,21,25-tetrakis(3-hexylthiophen-2-yl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene
CID 139095710
9-[4-[6-[4-(7-Fluorodibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 117659745
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-35-phenyl-18-thia-9,35-diazanonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.022,27.028,33]pentatriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21(34),22,24,26,28,30,32-hexadecaene
CID 117725981
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-35-phenyl-12-thia-9,35-diazanonacyclo[18.15.0.02,10.03,8.011,19.013,18.021,34.022,27.028,33]pentatriaconta-1,3,5,7,10,13,15,17,19,21(34),22,24,26,28,30,32-hexadecaene
CID 118634449
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276719
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276722
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276727
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276729
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276730
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276732
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276733

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole (CID 158731428) is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is ILDMGMFHHPIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F9N4S.C61H38F6N4S.C53H33F3N4S/c1-34-25-40(27-42(26-34)59(62,63)64)37-19-22-46-47-23-20-38(41-28-43(60(65,66)67)33-44(29-41)61(68,69)70)32-53(47)74(52(46)31-37)51-24-21-39(45-16-10-17-49-48-15-8-9-18-54(48)75-55(45)49)30-50(51)58-72-56(35-11-4-2-5-12-35)71-57(73-58)36-13-6-3-7-14-36;1-35-26-42(30-44(28-35)60(62,63)64)39-20-23-52-49(32-39)50-33-40(43-27-36(2)29-45(31-43)61(65,66)67)21-24-53(50)71(52)54-25-22-41(46-17-11-18-48-47-16-9-10-19-55(47)72-56(46)48)34-51(54)59-69-57(37-12-5-3-6-13-37)68-58(70-59)38-14-7-4-8-15-38;1-32-23-26-37(44(29-32)53(54,55)56)36-24-27-40-39-17-8-10-21-45(39)60(47(40)31-36)46-28-25-35(38-19-12-20-42-41-18-9-11-22-48(41)61-49(38)42)30-43(46)52-58-50(33-13-4-2-5-14-33)57-51(59-52)34-15-6-3-7-16-34/h2-33H,1H3;3-34H,1-2H3;2-31H,1H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole?
2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2815.02 g/mol, XLogP of 51.70, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 158731428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).