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

C55H36F3N — CID 170283657

IUPAC3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccccc1-n1c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C55H36F3N/c56-55(57,58)51-23-13-14-24-54(51)59-52-27-25-41(47-31-43(37-15-5-1-6-16-37)29-44(32-47)38-17-7-2-8-18-38)35-49(52)50-36-42(26-28-53(50)59)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40/h1-36H
InChIKeyOKCQOWYPCPFMPW-UHFFFAOYSA-N
MW767.89 g/mol
LogP15.80
Rot. Bonds7

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

3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole (PubChem CID 170283657) has the molecular formula C55H36F3N and a molecular weight of 767.89 g/mol. Its IUPAC name is 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
PubChem CID170283657
Molecular FormulaC55H36F3N
Molecular Weight767.89 g/mol
Exact Mass767.28
IUPAC Name3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccccc1-n1c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C55H36F3N/c56-55(57,58)51-23-13-14-24-54(51)59-52-27-25-41(47-31-43(37-15-5-1-6-16-37)29-44(32-47)38-17-7-2-8-18-38)35-49(52)50-36-42(26-28-53(50)59)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40/h1-36H
InChIKeyOKCQOWYPCPFMPW-UHFFFAOYSA-N
XLogP15.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
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-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431493
2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol
CID 67325959
9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138700405
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole (CID 170283657) is 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccccc1-n1c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21.
What is the InChIKey of 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is OKCQOWYPCPFMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36F3N/c56-55(57,58)51-23-13-14-24-54(51)59-52-27-25-41(47-31-43(37-15-5-1-6-16-37)29-44(32-47)38-17-7-2-8-18-38)35-49(52)50-36-42(26-28-53(50)59)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40/h1-36H.
What are the key properties of 3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole?
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 767.89 g/mol, XLogP of 15.80, 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-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 170283657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).