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

C62H47F6N — CID 170283688

IUPAC9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C)cc(-c5ccccc5C(F)(F)F)c4)ccc2n3-c2ccccc2C(C)(C)C)cc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C62H47F6N/c1-38-16-6-8-18-48(38)44-30-42(32-46(34-44)50-20-10-12-22-54(50)61(63,64)65)40-26-28-57-52(36-40)53-37-41(27-29-58(53)69(57)59-25-15-14-24-56(59)60(3,4)5)43-31-45(49-19-9-7-17-39(49)2)35-47(33-43)51-21-11-13-23-55(51)62(66,67)68/h6-37H,1-5H3
InChIKeyFFBLFZGLBAFIQM-UHFFFAOYSA-N
MW920.05 g/mol
LogP18.74
Rot. Bonds7

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

9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 170283688) has the molecular formula C62H47F6N and a molecular weight of 920.05 g/mol. Its IUPAC name is 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID170283688
Molecular FormulaC62H47F6N
Molecular Weight920.05 g/mol
Exact Mass919.36
IUPAC Name9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C)cc(-c5ccccc5C(F)(F)F)c4)ccc2n3-c2ccccc2C(C)(C)C)cc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C62H47F6N/c1-38-16-6-8-18-48(38)44-30-42(32-46(34-44)50-20-10-12-22-54(50)61(63,64)65)40-26-28-57-52(36-40)53-37-41(27-29-58(53)69(57)59-25-15-14-24-56(59)60(3,4)5)43-31-45(49-19-9-7-17-39(49)2)35-47(33-43)51-21-11-13-23-55(51)62(66,67)68/h6-37H,1-5H3
InChIKeyFFBLFZGLBAFIQM-UHFFFAOYSA-N
XLogP18.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.05
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole
CID 169284823
9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283752
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386832
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520
3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
CID 169284709

Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole (CID 170283688) is 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C)cc(-c5ccccc5C(F)(F)F)c4)ccc2n3-c2ccccc2C(C)(C)C)cc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is FFBLFZGLBAFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47F6N/c1-38-16-6-8-18-48(38)44-30-42(32-46(34-44)50-20-10-12-22-54(50)61(63,64)65)40-26-28-57-52(36-40)53-37-41(27-29-58(53)69(57)59-25-15-14-24-56(59)60(3,4)5)43-31-45(49-19-9-7-17-39(49)2)35-47(33-43)51-21-11-13-23-55(51)62(66,67)68/h6-37H,1-5H3.
What are the key properties of 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 920.05 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170283688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).