3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole

C68H33F24N — CID 170285922

IUPAC3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)ccc3n4-c3ccccc3-c3ccccc3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C68H33F24N/c69-61(70,71)47-20-43(21-48(30-47)62(72,73)74)39-14-37(15-40(18-39)44-22-49(63(75,76)77)31-50(23-44)64(78,79)80)35-10-12-59-56(28-35)57-29-36(11-13-60(57)93(59)58-9-5-4-8-55(58)34-6-2-1-3-7-34)38-16-41(45-24-51(65(81,82)83)32-52(25-45)66(84,85)86)19-42(17-38)46-26-53(67(87,88)89)33-54(27-46)68(90,91)92/h1-33H
InChIKeyUDTWGFHHCQTZAO-UHFFFAOYSA-N
MW1319.97 g/mol
LogP24.60
Rot. Bonds8

About 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole

3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole (PubChem CID 170285922) has the molecular formula C68H33F24N and a molecular weight of 1319.97 g/mol. Its IUPAC name is 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
PubChem CID170285922
Molecular FormulaC68H33F24N
Molecular Weight1319.97 g/mol
Exact Mass1319.22
IUPAC Name3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)ccc3n4-c3ccccc3-c3ccccc3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C68H33F24N/c69-61(70,71)47-20-43(21-48(30-47)62(72,73)74)39-14-37(15-40(18-39)44-22-49(63(75,76)77)31-50(23-44)64(78,79)80)35-10-12-59-56(28-35)57-29-36(11-13-60(57)93(59)58-9-5-4-8-55(58)34-6-2-1-3-7-34)38-16-41(45-24-51(65(81,82)83)32-52(25-45)66(84,85)86)19-42(17-38)46-26-53(67(87,88)89)33-54(27-46)68(90,91)92/h1-33H
InChIKeyUDTWGFHHCQTZAO-UHFFFAOYSA-N
XLogP24.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.97
LogP ≤ 524.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520
9-[2-[3-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166899924
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
CID 170283658
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-(2,6-diphenylpyrimidin-4-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161474942

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole (CID 170285922) is 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole is FC(F)(F)c1cc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)ccc3n4-c3ccccc3-c3ccccc3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The InChIKey is UDTWGFHHCQTZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H33F24N/c69-61(70,71)47-20-43(21-48(30-47)62(72,73)74)39-14-37(15-40(18-39)44-22-49(63(75,76)77)31-50(23-44)64(78,79)80)35-10-12-59-56(28-35)57-29-36(11-13-60(57)93(59)58-9-5-4-8-55(58)34-6-2-1-3-7-34)38-16-41(45-24-51(65(81,82)83)32-52(25-45)66(84,85)86)19-42(17-38)46-26-53(67(87,88)89)33-54(27-46)68(90,91)92/h1-33H.
What are the key properties of 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole has a molecular weight of 1319.97 g/mol, XLogP of 24.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 170285922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).