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

C195H116F18N18O — CID 158265745

IUPAC5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESFC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C78H47F6N9.C63H38F6N6.C54H31F6N3O/c79-77(80,81)63-37-21-19-35-57(63)61-45-56(76-85-65(48-23-7-1-8-24-48)47-66(86-76)49-25-9-2-10-26-49)46-62(58-36-20-22-38-64(58)78(82,83)84)69(61)93-67-41-39-54(74-89-70(50-27-11-3-12-28-50)87-71(90-74)51-29-13-4-14-30-51)43-59(67)60-44-55(40-42-68(60)93)75-91-72(52-31-15-5-16-32-52)88-73(92-75)53-33-17-6-18-34-53;64-62(65,66)51-30-16-13-27-45(51)49-36-44(61-70-53(39-19-5-1-6-20-39)38-54(71-61)40-21-7-2-8-22-40)37-50(46-28-14-17-31-52(46)63(67,68)69)57(49)75-55-32-18-15-29-47(55)48-35-43(33-34-56(48)75)60-73-58(41-23-9-3-10-24-41)72-59(74-60)42-25-11-4-12-26-42;55-53(56,57)42-23-11-7-19-35(42)40-29-34(52-61-44(32-15-3-1-4-16-32)31-45(62-52)33-17-5-2-6-18-33)30-41(36-20-8-12-24-43(36)54(58,59)60)50(40)63-46-25-13-9-22-39(46)49-47(63)28-27-38-37-21-10-14-26-48(37)64-51(38)49/h1-47H;1-38H;1-31H
InChIKeyGIKNASLNJPYVQR-UHFFFAOYSA-N
MW3069.16 g/mol
LogP53.30
Rot. Bonds27

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

5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 158265745) has the molecular formula C195H116F18N18O and a molecular weight of 3069.16 g/mol. Its IUPAC name is 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID158265745
Molecular FormulaC195H116F18N18O
Molecular Weight3069.16 g/mol
Exact Mass3066.93
IUPAC Name5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESFC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C78H47F6N9.C63H38F6N6.C54H31F6N3O/c79-77(80,81)63-37-21-19-35-57(63)61-45-56(76-85-65(48-23-7-1-8-24-48)47-66(86-76)49-25-9-2-10-26-49)46-62(58-36-20-22-38-64(58)78(82,83)84)69(61)93-67-41-39-54(74-89-70(50-27-11-3-12-28-50)87-71(90-74)51-29-13-4-14-30-51)43-59(67)60-44-55(40-42-68(60)93)75-91-72(52-31-15-5-16-32-52)88-73(92-75)53-33-17-6-18-34-53;64-62(65,66)51-30-16-13-27-45(51)49-36-44(61-70-53(39-19-5-1-6-20-39)38-54(71-61)40-21-7-2-8-22-40)37-50(46-28-14-17-31-52(46)63(67,68)69)57(49)75-55-32-18-15-29-47(55)48-35-43(33-34-56(48)75)60-73-58(41-23-9-3-10-24-41)72-59(74-60)42-25-11-4-12-26-42;55-53(56,57)42-23-11-7-19-35(42)40-29-34(52-61-44(32-15-3-1-4-16-32)31-45(62-52)33-17-5-2-6-18-33)30-41(36-20-8-12-24-43(36)54(58,59)60)50(40)63-46-25-13-9-22-39(46)49-47(63)28-27-38-37-21-10-14-26-48(37)64-51(38)49/h1-47H;1-38H;1-31H
InChIKeyGIKNASLNJPYVQR-UHFFFAOYSA-N
XLogP53.30
TPSA221.28 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003069.16
LogP ≤ 553.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 158265745) is 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is GIKNASLNJPYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H47F6N9.C63H38F6N6.C54H31F6N3O/c79-77(80,81)63-37-21-19-35-57(63)61-45-56(76-85-65(48-23-7-1-8-24-48)47-66(86-76)49-25-9-2-10-26-49)46-62(58-36-20-22-38-64(58)78(82,83)84)69(61)93-67-41-39-54(74-89-70(50-27-11-3-12-28-50)87-71(90-74)51-29-13-4-14-30-51)43-59(67)60-44-55(40-42-68(60)93)75-91-72(52-31-15-5-16-32-52)88-73(92-75)53-33-17-6-18-34-53;64-62(65,66)51-30-16-13-27-45(51)49-36-44(61-70-53(39-19-5-1-6-20-39)38-54(71-61)40-21-7-2-8-22-40)37-50(46-28-14-17-31-52(46)63(67,68)69)57(49)75-55-32-18-15-29-47(55)48-35-43(33-34-56(48)75)60-73-58(41-23-9-3-10-24-41)72-59(74-60)42-25-11-4-12-26-42;55-53(56,57)42-23-11-7-19-35(42)40-29-34(52-61-44(32-15-3-1-4-16-32)31-45(62-52)33-17-5-2-6-18-33)30-41(36-20-8-12-24-43(36)54(58,59)60)50(40)63-46-25-13-9-22-39(46)49-47(63)28-27-38-37-21-10-14-26-48(37)64-51(38)49/h1-47H;1-38H;1-31H.
What are the key properties of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 3069.16 g/mol, XLogP of 53.30, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 158265745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).