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

C64H43F6N — CID 170283720

IUPAC3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C)cc(-c5ccccc5C(F)(F)F)c4)ccc2n3-c2ccccc2-c2ccccc2)cc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C64H43F6N/c1-40-16-6-8-20-51(40)47-32-45(34-49(36-47)53-22-10-13-25-58(53)63(65,66)67)43-28-30-61-56(38-43)57-39-44(29-31-62(57)71(61)60-27-15-12-24-55(60)42-18-4-3-5-19-42)46-33-48(52-21-9-7-17-41(52)2)37-50(35-46)54-23-11-14-26-59(54)64(68,69)70/h3-39H,1-2H3
InChIKeyYBJDSEUILAODQW-UHFFFAOYSA-N
MW940.04 g/mol
LogP19.11
Rot. Bonds8

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

3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole (PubChem CID 170283720) has the molecular formula C64H43F6N and a molecular weight of 940.04 g/mol. Its IUPAC name is 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
PubChem CID170283720
Molecular FormulaC64H43F6N
Molecular Weight940.04 g/mol
Exact Mass939.33
IUPAC Name3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C)cc(-c5ccccc5C(F)(F)F)c4)ccc2n3-c2ccccc2-c2ccccc2)cc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C64H43F6N/c1-40-16-6-8-20-51(40)47-32-45(34-49(36-47)53-22-10-13-25-58(53)63(65,66)67)43-28-30-61-56(38-43)57-39-44(29-31-62(57)71(61)60-27-15-12-24-55(60)42-18-4-3-5-19-42)46-33-48(52-21-9-7-17-41(52)2)37-50(35-46)54-23-11-14-26-59(54)64(68,69)70/h3-39H,1-2H3
InChIKeyYBJDSEUILAODQW-UHFFFAOYSA-N
XLogP19.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.04
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
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
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386832
3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
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(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
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(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole (CID 170283720) is 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole is Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cc(-c5ccccc5C)cc(-c5ccccc5C(F)(F)F)c4)ccc2n3-c2ccccc2-c2ccccc2)cc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The InChIKey is YBJDSEUILAODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43F6N/c1-40-16-6-8-20-51(40)47-32-45(34-49(36-47)53-22-10-13-25-58(53)63(65,66)67)43-28-30-61-56(38-43)57-39-44(29-31-62(57)71(61)60-27-15-12-24-55(60)42-18-4-3-5-19-42)46-33-48(52-21-9-7-17-41(52)2)37-50(35-46)54-23-11-14-26-59(54)64(68,69)70/h3-39H,1-2H3.
What are the key properties of 3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole has a molecular weight of 940.04 g/mol, XLogP of 19.11, 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-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 170283720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).