9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole

C149H94F6N10 — CID 158364715

IUPAC9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C77H51N5.C72H43F6N5/c1-50-22-8-9-31-59(50)55-42-43-75-67(46-55)64-36-14-19-41-74(64)82(75)76-65(53-27-20-29-57(44-53)80-70-37-15-10-32-60(70)61-33-11-16-38-71(61)80)47-56(77-78-68(51-23-4-2-5-24-51)49-69(79-77)52-25-6-3-7-26-52)48-66(76)54-28-21-30-58(45-54)81-72-39-17-12-34-62(72)63-35-13-18-40-73(63)81;73-71(74,75)49-33-35-67-59(41-49)60-42-50(72(76,77)78)34-36-68(60)83(67)69-57(46-21-15-23-51(37-46)81-63-29-11-7-25-53(63)54-26-8-12-30-64(54)81)39-48(70-79-61(44-17-3-1-4-18-44)43-62(80-70)45-19-5-2-6-20-45)40-58(69)47-22-16-24-52(38-47)82-65-31-13-9-27-55(65)56-28-10-14-32-66(56)82/h2-49H,1H3;1-43H
InChIKeyGTWVQGRDSHGYLD-UHFFFAOYSA-N
MW2138.45 g/mol
LogP40.22
Rot. Bonds17

About 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole (PubChem CID 158364715) has the molecular formula C149H94F6N10 and a molecular weight of 2138.45 g/mol. Its IUPAC name is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
PubChem CID158364715
Molecular FormulaC149H94F6N10
Molecular Weight2138.45 g/mol
Exact Mass2136.76
IUPAC Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C77H51N5.C72H43F6N5/c1-50-22-8-9-31-59(50)55-42-43-75-67(46-55)64-36-14-19-41-74(64)82(75)76-65(53-27-20-29-57(44-53)80-70-37-15-10-32-60(70)61-33-11-16-38-71(61)80)47-56(77-78-68(51-23-4-2-5-24-51)49-69(79-77)52-25-6-3-7-26-52)48-66(76)54-28-21-30-58(45-54)81-72-39-17-12-34-62(72)63-35-13-18-40-73(63)81;73-71(74,75)49-33-35-67-59(41-49)60-42-50(72(76,77)78)34-36-68(60)83(67)69-57(46-21-15-23-51(37-46)81-63-29-11-7-25-53(63)54-26-8-12-30-64(54)81)39-48(70-79-61(44-17-3-1-4-18-44)43-62(80-70)45-19-5-2-6-20-45)40-58(69)47-22-16-24-52(38-47)82-65-31-13-9-27-55(65)56-28-10-14-32-66(56)82/h2-49H,1H3;1-43H
InChIKeyGTWVQGRDSHGYLD-UHFFFAOYSA-N
XLogP40.22
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002138.45
LogP ≤ 540.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole with MolForge

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Related Compounds

9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole)
CID 118424868
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
9-(3-(4-(3,5-Di(9H-carbazol-9-yl)phenyl)-6-phenyl-1,3,5-triazin-2-yl)-5-(9H-carbazol-9-yl)phenyl)-9H-carbazole
CID 102593214
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 169287117
9,9'-(5-(4,6-Di-t-butyl-1,3,5-triazin-2-yl)-1,3-phenylene)bis(3-fluoro-9h-carbazole)
CID 168302126
4-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole
CID 168340135
9-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 168341574
9-(2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)phenyl)-3,6-diphenyl-9h-carbazole
CID 177823350
6-(3-Indolo[1,2-c]quinazolin-6-ylnaphthalen-2-yl)indolo[1,2-c]quinazoline
CID 45276790
6-(2-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
CID 45276939
6-(3-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
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4-3CzTRz
CID 89890742

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
The IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole (CID 158364715) is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
The InChIKey is GTWVQGRDSHGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H51N5.C72H43F6N5/c1-50-22-8-9-31-59(50)55-42-43-75-67(46-55)64-36-14-19-41-74(64)82(75)76-65(53-27-20-29-57(44-53)80-70-37-15-10-32-60(70)61-33-11-16-38-71(61)80)47-56(77-78-68(51-23-4-2-5-24-51)49-69(79-77)52-25-6-3-7-26-52)48-66(76)54-28-21-30-58(45-54)81-72-39-17-12-34-62(72)63-35-13-18-40-73(63)81;73-71(74,75)49-33-35-67-59(41-49)60-42-50(72(76,77)78)34-36-68(60)83(67)69-57(46-21-15-23-51(37-46)81-63-29-11-7-25-53(63)54-26-8-12-30-64(54)81)39-48(70-79-61(44-17-3-1-4-18-44)43-62(80-70)45-19-5-2-6-20-45)40-58(69)47-22-16-24-52(38-47)82-65-31-13-9-27-55(65)56-28-10-14-32-66(56)82/h2-49H,1H3;1-43H.
What are the key properties of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole?
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 2138.45 g/mol, XLogP of 40.22, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 158364715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).