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

C172H111F18N9 — CID 160611449

IUPAC9-[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
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc1.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C62H41F6N3.2C55H35F6N3/c1-38-15-13-21-42(31-38)44-27-29-57-49(33-44)50-34-45(43-22-14-16-39(2)32-43)28-30-58(50)71(57)59-51(47-23-9-11-25-53(47)61(63,64)65)35-46(36-52(59)48-24-10-12-26-54(48)62(66,67)68)60-69-55(40-17-5-3-6-18-40)37-56(70-60)41-19-7-4-8-20-41;1-34-15-14-20-37(29-34)38-27-28-51-43(30-38)42-23-10-13-26-50(42)64(51)52-44(40-21-8-11-24-46(40)54(56,57)58)31-39(32-45(52)41-22-9-12-25-47(41)55(59,60)61)53-62-48(35-16-4-2-5-17-35)33-49(63-53)36-18-6-3-7-19-36;1-34-24-26-35(27-25-34)38-28-29-51-43(30-38)42-20-10-13-23-50(42)64(51)52-44(40-18-8-11-21-46(40)54(56,57)58)31-39(32-45(52)41-19-9-12-22-47(41)55(59,60)61)53-62-48(36-14-4-2-5-15-36)33-49(63-53)37-16-6-3-7-17-37/h3-37H,1-2H3;2*2-33H,1H3
InChIKeyRFNPNRUFELYOMB-UHFFFAOYSA-N
MW2645.81 g/mol
LogP49.74
Rot. Bonds22

About 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

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 (PubChem CID 160611449) has the molecular formula C172H111F18N9 and a molecular weight of 2645.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID160611449
Molecular FormulaC172H111F18N9
Molecular Weight2645.81 g/mol
Exact Mass2643.87
IUPAC Name9-[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
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc1.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C62H41F6N3.2C55H35F6N3/c1-38-15-13-21-42(31-38)44-27-29-57-49(33-44)50-34-45(43-22-14-16-39(2)32-43)28-30-58(50)71(57)59-51(47-23-9-11-25-53(47)61(63,64)65)35-46(36-52(59)48-24-10-12-26-54(48)62(66,67)68)60-69-55(40-17-5-3-6-18-40)37-56(70-60)41-19-7-4-8-20-41;1-34-15-14-20-37(29-34)38-27-28-51-43(30-38)42-23-10-13-26-50(42)64(51)52-44(40-21-8-11-24-46(40)54(56,57)58)31-39(32-45(52)41-22-9-12-25-47(41)55(59,60)61)53-62-48(35-16-4-2-5-17-35)33-49(63-53)36-18-6-3-7-19-36;1-34-24-26-35(27-25-34)38-28-29-51-43(30-38)42-20-10-13-23-50(42)64(51)52-44(40-18-8-11-21-46(40)54(56,57)58)31-39(32-45(52)41-19-9-12-22-47(41)55(59,60)61)53-62-48(36-14-4-2-5-15-36)33-49(63-53)37-16-6-3-7-17-37/h3-37H,1-2H3;2*2-33H,1H3
InChIKeyRFNPNRUFELYOMB-UHFFFAOYSA-N
XLogP49.74
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002645.81
LogP ≤ 549.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155447127
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
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
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
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
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138555651
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[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138555653
2-[3-(2-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 161043116
3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447541
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc1.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is RFNPNRUFELYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41F6N3.2C55H35F6N3/c1-38-15-13-21-42(31-38)44-27-29-57-49(33-44)50-34-45(43-22-14-16-39(2)32-43)28-30-58(50)71(57)59-51(47-23-9-11-25-53(47)61(63,64)65)35-46(36-52(59)48-24-10-12-26-54(48)62(66,67)68)60-69-55(40-17-5-3-6-18-40)37-56(70-60)41-19-7-4-8-20-41;1-34-15-14-20-37(29-34)38-27-28-51-43(30-38)42-23-10-13-26-50(42)64(51)52-44(40-21-8-11-24-46(40)54(56,57)58)31-39(32-45(52)41-22-9-12-25-47(41)55(59,60)61)53-62-48(35-16-4-2-5-17-35)33-49(63-53)36-18-6-3-7-19-36;1-34-24-26-35(27-25-34)38-28-29-51-43(30-38)42-20-10-13-23-50(42)64(51)52-44(40-18-8-11-21-46(40)54(56,57)58)31-39(32-45(52)41-19-9-12-22-47(41)55(59,60)61)53-62-48(36-14-4-2-5-15-36)33-49(63-53)37-16-6-3-7-17-37/h3-37H,1-2H3;2*2-33H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2645.81 g/mol, XLogP of 49.74, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160611449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).