3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole

C33H23BrFN — CID 53416185

IUPAC3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)cc21
InChIInChI=1S/C33H23BrFN/c1-33(2)29-18-21(7-14-25(29)26-15-9-22(34)19-30(26)33)20-8-16-32-28(17-20)27-5-3-4-6-31(27)36(32)24-12-10-23(35)11-13-24/h3-19H,1-2H3
InChIKeyABYHGIVZASXIAT-UHFFFAOYSA-N
MW532.46 g/mol
LogP9.66
Rot. Bonds2

About 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole

3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole (PubChem CID 53416185) has the molecular formula C33H23BrFN and a molecular weight of 532.46 g/mol. Its IUPAC name is 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
PubChem CID53416185
Molecular FormulaC33H23BrFN
Molecular Weight532.46 g/mol
Exact Mass531.10
IUPAC Name3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)cc21
InChIInChI=1S/C33H23BrFN/c1-33(2)29-18-21(7-14-25(29)26-15-9-22(34)19-30(26)33)20-8-16-32-28(17-20)27-5-3-4-6-31(27)36(32)24-12-10-23(35)11-13-24/h3-19H,1-2H3
InChIKeyABYHGIVZASXIAT-UHFFFAOYSA-N
XLogP9.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.46
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
The IUPAC name of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole (CID 53416185) is 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole.
What is the SMILES notation for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
The canonical SMILES for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole is CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)cc21.
What is the InChIKey of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
The InChIKey is ABYHGIVZASXIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23BrFN/c1-33(2)29-18-21(7-14-25(29)26-15-9-22(34)19-30(26)33)20-8-16-32-28(17-20)27-5-3-4-6-31(27)36(32)24-12-10-23(35)11-13-24/h3-19H,1-2H3.
What are the key properties of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole has a molecular weight of 532.46 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)carbazole is sourced from PubChem (CID 53416185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).