3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole

C27H20BrN — CID 89472048

IUPAC3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Br)ccc43)cc21
InChIInChI=1S/C27H20BrN/c1-27(2)23-9-5-3-7-19(23)20-13-12-18(16-24(20)27)29-25-10-6-4-8-21(25)22-15-17(28)11-14-26(22)29/h3-16H,1-2H3
InChIKeyDFLFZWTULQPFFK-UHFFFAOYSA-N
MW438.37 g/mol
LogP7.85
Rot. Bonds1

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

3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 89472048) has the molecular formula C27H20BrN and a molecular weight of 438.37 g/mol. Its IUPAC name is 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
PubChem CID89472048
Molecular FormulaC27H20BrN
Molecular Weight438.37 g/mol
Exact Mass437.08
IUPAC Name3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Br)ccc43)cc21
InChIInChI=1S/C27H20BrN/c1-27(2)23-9-5-3-7-19(23)20-13-12-18(16-24(20)27)29-25-10-6-4-8-21(25)22-15-17(28)11-14-26(22)29/h3-16H,1-2H3
InChIKeyDFLFZWTULQPFFK-UHFFFAOYSA-N
XLogP7.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole;[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 158986771
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 90219546
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
CID 68542986
9-(9,9-dimethylfluoren-2-yl)-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501110
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole?
The IUPAC name of 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole (CID 89472048) is 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole.
What is the SMILES notation for 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole?
The canonical SMILES for 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Br)ccc43)cc21.
What is the InChIKey of 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole?
The InChIKey is DFLFZWTULQPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20BrN/c1-27(2)23-9-5-3-7-19(23)20-13-12-18(16-24(20)27)29-25-10-6-4-8-21(25)22-15-17(28)11-14-26(22)29/h3-16H,1-2H3.
What are the key properties of 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole?
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 438.37 g/mol, XLogP of 7.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 89472048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).