5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C195H125F9N18O — CID 157103074

IUPAC5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1
InChIInChI=1S/C78H50F3N9.C63H41F3N6.C54H34F3N3O/c1-49-32-34-50(35-33-49)62-46-60(67-48-66(52-20-8-2-9-21-52)82-71(83-67)53-22-10-3-11-23-53)47-63(51-36-40-61(41-37-51)78(79,80)81)70(62)90-68-42-38-58(76-86-72(54-24-12-4-13-25-54)84-73(87-76)55-26-14-5-15-27-55)44-64(68)65-45-59(39-43-69(65)90)77-88-74(56-28-16-6-17-29-56)85-75(89-77)57-30-18-7-19-31-57;1-40-26-28-41(29-27-40)51-37-48(55-39-54(43-16-6-2-7-17-43)67-59(68-55)44-18-8-3-9-19-44)38-52(42-30-33-49(34-31-42)63(64,65)66)58(51)72-56-25-15-14-24-50(56)53-36-47(32-35-57(53)72)62-70-60(45-20-10-4-11-21-45)69-61(71-62)46-22-12-5-13-23-46;1-33-20-22-34(23-21-33)43-30-38(46-32-45(36-12-4-2-5-13-36)58-53(59-46)37-14-6-3-7-15-37)31-44(35-24-26-39(27-25-35)54(55,56)57)51(43)60-47-18-10-8-17-42(47)50-48(60)29-28-41-40-16-9-11-19-49(40)61-52(41)50/h2-48H,1H3;2-39H,1H3;2-32H,1H3
InChIKeyAFZJUMMJHIVPKD-UHFFFAOYSA-N
MW2907.25 g/mol
LogP51.17
Rot. Bonds27

About 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 157103074) has the molecular formula C195H125F9N18O and a molecular weight of 2907.25 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID157103074
Molecular FormulaC195H125F9N18O
Molecular Weight2907.25 g/mol
Exact Mass2905.01
IUPAC Name5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1
InChIInChI=1S/C78H50F3N9.C63H41F3N6.C54H34F3N3O/c1-49-32-34-50(35-33-49)62-46-60(67-48-66(52-20-8-2-9-21-52)82-71(83-67)53-22-10-3-11-23-53)47-63(51-36-40-61(41-37-51)78(79,80)81)70(62)90-68-42-38-58(76-86-72(54-24-12-4-13-25-54)84-73(87-76)55-26-14-5-15-27-55)44-64(68)65-45-59(39-43-69(65)90)77-88-74(56-28-16-6-17-29-56)85-75(89-77)57-30-18-7-19-31-57;1-40-26-28-41(29-27-40)51-37-48(55-39-54(43-16-6-2-7-17-43)67-59(68-55)44-18-8-3-9-19-44)38-52(42-30-33-49(34-31-42)63(64,65)66)58(51)72-56-25-15-14-24-50(56)53-36-47(32-35-57(53)72)62-70-60(45-20-10-4-11-21-45)69-61(71-62)46-22-12-5-13-23-46;1-33-20-22-34(23-21-33)43-30-38(46-32-45(36-12-4-2-5-13-36)58-53(59-46)37-14-6-3-7-15-37)31-44(35-24-26-39(27-25-35)54(55,56)57)51(43)60-47-18-10-8-17-42(47)50-48(60)29-28-41-40-16-9-11-19-49(40)61-52(41)50/h2-48H,1H3;2-39H,1H3;2-32H,1H3
InChIKeyAFZJUMMJHIVPKD-UHFFFAOYSA-N
XLogP51.17
TPSA221.28 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.25
LogP ≤ 551.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole with MolForge

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Related Compounds

5-[4-(6-Fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324675
5-[4-[2-Phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327172
5-[4-[2-Phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327196
7-[4-(3,5-Difluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 117827087
6-[3-(2-Cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-9-(4-dibenzofuran-4-ylphenyl)-1,2,3,4-tetrafluorocarbazole
CID 118123159
9-(4-Dibenzofuran-4-ylphenyl)-6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,3,4-tetrafluorocarbazole
CID 118149553
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276701
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276711
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276715
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276720
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276721
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276724

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 157103074) is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.
What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is AFZJUMMJHIVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50F3N9.C63H41F3N6.C54H34F3N3O/c1-49-32-34-50(35-33-49)62-46-60(67-48-66(52-20-8-2-9-21-52)82-71(83-67)53-22-10-3-11-23-53)47-63(51-36-40-61(41-37-51)78(79,80)81)70(62)90-68-42-38-58(76-86-72(54-24-12-4-13-25-54)84-73(87-76)55-26-14-5-15-27-55)44-64(68)65-45-59(39-43-69(65)90)77-88-74(56-28-16-6-17-29-56)85-75(89-77)57-30-18-7-19-31-57;1-40-26-28-41(29-27-40)51-37-48(55-39-54(43-16-6-2-7-17-43)67-59(68-55)44-18-8-3-9-19-44)38-52(42-30-33-49(34-31-42)63(64,65)66)58(51)72-56-25-15-14-24-50(56)53-36-47(32-35-57(53)72)62-70-60(45-20-10-4-11-21-45)69-61(71-62)46-22-12-5-13-23-46;1-33-20-22-34(23-21-33)43-30-38(46-32-45(36-12-4-2-5-13-36)58-53(59-46)37-14-6-3-7-15-37)31-44(35-24-26-39(27-25-35)54(55,56)57)51(43)60-47-18-10-8-17-42(47)50-48(60)29-28-41-40-16-9-11-19-49(40)61-52(41)50/h2-48H,1H3;2-39H,1H3;2-32H,1H3.
What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 2907.25 g/mol, XLogP of 51.17, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 157103074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).