3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole

C70H33F36N — CID 170285666

IUPAC3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccccc1-n1c2ccc(-c3cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)c3)cc2c2cc(-c3cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)c3)ccc21
InChIInChI=1S/C70H33F36N/c1-58(2,3)42-6-4-5-7-53(42)107-51-10-8-28(30-12-32(36-20-43(59(71,72)73)54(67(95,96)97)44(21-36)60(74,75)76)16-33(13-30)37-22-45(61(77,78)79)55(68(98,99)100)46(23-37)62(80,81)82)18-40(51)41-19-29(9-11-52(41)107)31-14-34(38-24-47(63(83,84)85)56(69(101,102)103)48(25-38)64(86,87)88)17-35(15-31)39-26-49(65(89,90)91)57(70(104,105)106)50(27-39)66(92,93)94/h4-27H,1-3H3
InChIKeyTYMLJSFSOYNNCX-UHFFFAOYSA-N
MW1571.97 g/mol
LogP28.31
Rot. Bonds7

About 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole

3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole (PubChem CID 170285666) has the molecular formula C70H33F36N and a molecular weight of 1571.97 g/mol. Its IUPAC name is 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
PubChem CID170285666
Molecular FormulaC70H33F36N
Molecular Weight1571.97 g/mol
Exact Mass1571.20
IUPAC Name3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
SMILESCC(C)(C)c1ccccc1-n1c2ccc(-c3cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)c3)cc2c2cc(-c3cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)c3)ccc21
InChIInChI=1S/C70H33F36N/c1-58(2,3)42-6-4-5-7-53(42)107-51-10-8-28(30-12-32(36-20-43(59(71,72)73)54(67(95,96)97)44(21-36)60(74,75)76)16-33(13-30)37-22-45(61(77,78)79)55(68(98,99)100)46(23-37)62(80,81)82)18-40(51)41-19-29(9-11-52(41)107)31-14-34(38-24-47(63(83,84)85)56(69(101,102)103)48(25-38)64(86,87)88)17-35(15-31)39-26-49(65(89,90)91)57(70(104,105)106)50(27-39)66(92,93)94/h4-27H,1-3H3
InChIKeyTYMLJSFSOYNNCX-UHFFFAOYSA-N
XLogP28.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001571.97
LogP ≤ 528.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702478
3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
CID 169284709
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole
CID 169284823
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
3-[9-(2-tert-butylphenyl)-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-5-isocyanobenzonitrile
CID 169284741

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole?
The IUPAC name of 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole (CID 170285666) is 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole?
The canonical SMILES for 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole is CC(C)(C)c1ccccc1-n1c2ccc(-c3cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)c3)cc2c2cc(-c3cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c4)c3)ccc21.
What is the InChIKey of 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole?
The InChIKey is TYMLJSFSOYNNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H33F36N/c1-58(2,3)42-6-4-5-7-53(42)107-51-10-8-28(30-12-32(36-20-43(59(71,72)73)54(67(95,96)97)44(21-36)60(74,75)76)16-33(13-30)37-22-45(61(77,78)79)55(68(98,99)100)46(23-37)62(80,81)82)18-40(51)41-19-29(9-11-52(41)107)31-14-34(38-24-47(63(83,84)85)56(69(101,102)103)48(25-38)64(86,87)88)17-35(15-31)39-26-49(65(89,90)91)57(70(104,105)106)50(27-39)66(92,93)94/h4-27H,1-3H3.
What are the key properties of 3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole?
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole has a molecular weight of 1571.97 g/mol, XLogP of 28.31, 7 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[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole is sourced from PubChem (CID 170285666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).