3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

C33H24BrN — CID 53416186

IUPAC3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C33H24BrN/c1-33(2)29-19-22(12-15-25(29)26-16-14-23(34)20-30(26)33)21-13-17-32-28(18-21)27-10-6-7-11-31(27)35(32)24-8-4-3-5-9-24/h3-20H,1-2H3
InChIKeyLYOIWHQTWCWWFK-UHFFFAOYSA-N
MW514.47 g/mol
LogP9.52
Rot. Bonds2

About 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 53416186) has the molecular formula C33H24BrN and a molecular weight of 514.47 g/mol. Its IUPAC name is 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
PubChem CID53416186
Molecular FormulaC33H24BrN
Molecular Weight514.47 g/mol
Exact Mass513.11
IUPAC Name3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C33H24BrN/c1-33(2)29-19-22(12-15-25(29)26-16-14-23(34)20-30(26)33)21-13-17-32-28(18-21)27-10-6-7-11-31(27)35(32)24-8-4-3-5-9-24/h3-20H,1-2H3
InChIKeyLYOIWHQTWCWWFK-UHFFFAOYSA-N
XLogP9.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 59.52
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-phenylcarbazole?
The IUPAC name of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (CID 53416186) is 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is LYOIWHQTWCWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24BrN/c1-33(2)29-19-22(12-15-25(29)26-16-14-23(34)20-30(26)33)21-13-17-32-28(18-21)27-10-6-7-11-31(27)35(32)24-8-4-3-5-9-24/h3-20H,1-2H3.
What are the key properties of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole has a molecular weight of 514.47 g/mol, XLogP of 9.52, 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-phenylcarbazole is sourced from PubChem (CID 53416186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).