3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole

C29H23Br2N — CID 68542986

IUPAC3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
SMILESCCC1(CC)c2ccccc2-c2ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)cc21
InChIInChI=1S/C29H23Br2N/c1-3-29(4-2)25-8-6-5-7-21(25)22-12-11-20(17-26(22)29)32-27-13-9-18(30)15-23(27)24-16-19(31)10-14-28(24)32/h5-17H,3-4H2,1-2H3
InChIKeyFKLPMRFZCVQFBS-UHFFFAOYSA-N
MW545.32 g/mol
LogP9.40
Rot. Bonds3

About 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole

3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole (PubChem CID 68542986) has the molecular formula C29H23Br2N and a molecular weight of 545.32 g/mol. Its IUPAC name is 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
PubChem CID68542986
Molecular FormulaC29H23Br2N
Molecular Weight545.32 g/mol
Exact Mass543.02
IUPAC Name3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
SMILESCCC1(CC)c2ccccc2-c2ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)cc21
InChIInChI=1S/C29H23Br2N/c1-3-29(4-2)25-8-6-5-7-21(25)22-12-11-20(17-26(22)29)32-27-13-9-18(30)15-23(27)24-16-19(31)10-14-28(24)32/h5-17H,3-4H2,1-2H3
InChIKeyFKLPMRFZCVQFBS-UHFFFAOYSA-N
XLogP9.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.32
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
2-(7-bromo-9,9-diethylfluoren-2-yl)isoindole-1,3-dione
CID 70929133
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole;[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 158986771
9-(9,9-diethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine
CID 101142979
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122
11,11-diethyl-8-methoxybenzo[b]fluorene
CID 59844089
9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol
CID 59404171
2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59801302
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
9,9-diethylfluoren-2-ol
CID 163996675
CID 173482166
CID 173482166
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole
CID 160899011

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole?
The IUPAC name of 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole (CID 68542986) is 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole is CCC1(CC)c2ccccc2-c2ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)cc21.
What is the InChIKey of 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole?
The InChIKey is FKLPMRFZCVQFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Br2N/c1-3-29(4-2)25-8-6-5-7-21(25)22-12-11-20(17-26(22)29)32-27-13-9-18(30)15-23(27)24-16-19(31)10-14-28(24)32/h5-17H,3-4H2,1-2H3.
What are the key properties of 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole?
3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole has a molecular weight of 545.32 g/mol, XLogP of 9.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole is sourced from PubChem (CID 68542986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).