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

C64H33F18N3 — CID 155447143

IUPAC3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C64H33F18N3/c65-59(66,67)41-17-11-34(12-18-41)47-29-40(58-83-53(36-7-3-1-4-8-36)33-54(84-58)37-9-5-2-6-10-37)30-48(35-13-19-42(20-14-35)60(68,69)70)57(47)85-55-25-15-38(45-23-21-43(61(71,72)73)31-51(45)63(77,78)79)27-49(55)50-28-39(16-26-56(50)85)46-24-22-44(62(74,75)76)32-52(46)64(80,81)82/h1-33H
InChIKeyKVMMNYKMAULDEK-UHFFFAOYSA-N
MW1185.95 g/mol
LogP21.36
Rot. Bonds8

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

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 155447143) has the molecular formula C64H33F18N3 and a molecular weight of 1185.95 g/mol. Its IUPAC name is 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID155447143
Molecular FormulaC64H33F18N3
Molecular Weight1185.95 g/mol
Exact Mass1185.24
IUPAC Name3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C64H33F18N3/c65-59(66,67)41-17-11-34(12-18-41)47-29-40(58-83-53(36-7-3-1-4-8-36)33-54(84-58)37-9-5-2-6-10-37)30-48(35-13-19-42(20-14-35)60(68,69)70)57(47)85-55-25-15-38(45-23-21-43(61(71,72)73)31-51(45)63(77,78)79)27-49(55)50-28-39(16-26-56(50)85)46-24-22-44(62(74,75)76)32-52(46)64(80,81)82/h1-33H
InChIKeyKVMMNYKMAULDEK-UHFFFAOYSA-N
XLogP21.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.95
LogP ≤ 521.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447671
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155446573
4-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(4-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155446450
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447081
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155447531
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
CID 147187982
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
4,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419834
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 155447406
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155447127
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole (CID 155447143) is 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1.
What is the InChIKey of 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is KVMMNYKMAULDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H33F18N3/c65-59(66,67)41-17-11-34(12-18-41)47-29-40(58-83-53(36-7-3-1-4-8-36)33-54(84-58)37-9-5-2-6-10-37)30-48(35-13-19-42(20-14-35)60(68,69)70)57(47)85-55-25-15-38(45-23-21-43(61(71,72)73)31-51(45)63(77,78)79)27-49(55)50-28-39(16-26-56(50)85)46-24-22-44(62(74,75)76)32-52(46)64(80,81)82/h1-33H.
What are the key properties of 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole?
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 1185.95 g/mol, XLogP of 21.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 155447143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).