3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole

C45H27F4N — CID 140910385

IUPAC3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccc(C4c5ccccc5-c5ccccc54)cc3c3cc(C4c5ccccc5-c5ccccc54)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C45H27F4N/c46-28-19-22-42(39(25-28)45(47,48)49)50-40-20-17-26(43-33-13-5-1-9-29(33)30-10-2-6-14-34(30)43)23-37(40)38-24-27(18-21-41(38)50)44-35-15-7-3-11-31(35)32-12-4-8-16-36(32)44/h1-25,43-44H
InChIKeyVVDDTOGBPQHZKA-UHFFFAOYSA-N
MW657.71 g/mol
LogP12.26
Rot. Bonds3

About 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole

3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 140910385) has the molecular formula C45H27F4N and a molecular weight of 657.71 g/mol. Its IUPAC name is 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole
PubChem CID140910385
Molecular FormulaC45H27F4N
Molecular Weight657.71 g/mol
Exact Mass657.21
IUPAC Name3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccc(C4c5ccccc5-c5ccccc54)cc3c3cc(C4c5ccccc5-c5ccccc54)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C45H27F4N/c46-28-19-22-42(39(25-28)45(47,48)49)50-40-20-17-26(43-33-13-5-1-9-29(33)30-10-2-6-14-34(30)43)23-37(40)38-24-27(18-21-41(38)50)44-35-15-7-3-11-31(35)32-12-4-8-16-36(32)44/h1-25,43-44H
InChIKeyVVDDTOGBPQHZKA-UHFFFAOYSA-N
XLogP12.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.71
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
3-(9H-fluoren-9-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176723054
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
CID 171371245
2-(9H-fluoren-9-yl)-9-methylcarbazole
CID 177069995
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 88567746
6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile
CID 154960025
2-methyl-3-[3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]benzenethiol
CID 170132483
2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole
CID 161216677
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
CID 162621152

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole (CID 140910385) is 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole is Fc1ccc(-n2c3ccc(C4c5ccccc5-c5ccccc54)cc3c3cc(C4c5ccccc5-c5ccccc54)ccc32)c(C(F)(F)F)c1.
What is the InChIKey of 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is VVDDTOGBPQHZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27F4N/c46-28-19-22-42(39(25-28)45(47,48)49)50-40-20-17-26(43-33-13-5-1-9-29(33)30-10-2-6-14-34(30)43)23-37(40)38-24-27(18-21-41(38)50)44-35-15-7-3-11-31(35)32-12-4-8-16-36(32)44/h1-25,43-44H.
What are the key properties of 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole?
3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 657.71 g/mol, XLogP of 12.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9H-fluoren-9-yl)-9-[4-fluoro-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 140910385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).