1,2-dibromo-9-(2-ethylhexyl)carbazole

C20H23Br2N — CID 90003854

IUPAC1,2-dibromo-9-(2-ethylhexyl)carbazole
SMILESCCCCC(CC)Cn1c2ccccc2c2ccc(Br)c(Br)c21
InChIInChI=1S/C20H23Br2N/c1-3-5-8-14(4-2)13-23-18-10-7-6-9-15(18)16-11-12-17(21)19(22)20(16)23/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKeySAMTWSKYLUMBLZ-UHFFFAOYSA-N
MW437.22 g/mol
LogP7.54
Rot. Bonds6

About 1,2-dibromo-9-(2-ethylhexyl)carbazole

1,2-dibromo-9-(2-ethylhexyl)carbazole (PubChem CID 90003854) has the molecular formula C20H23Br2N and a molecular weight of 437.22 g/mol. Its IUPAC name is 1,2-dibromo-9-(2-ethylhexyl)carbazole.

Molecular Properties

Compound Name1,2-dibromo-9-(2-ethylhexyl)carbazole
PubChem CID90003854
Molecular FormulaC20H23Br2N
Molecular Weight437.22 g/mol
Exact Mass435.02
IUPAC Name1,2-dibromo-9-(2-ethylhexyl)carbazole
SMILESCCCCC(CC)Cn1c2ccccc2c2ccc(Br)c(Br)c21
InChIInChI=1S/C20H23Br2N/c1-3-5-8-14(4-2)13-23-18-10-7-6-9-15(18)16-11-12-17(21)19(22)20(16)23/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKeySAMTWSKYLUMBLZ-UHFFFAOYSA-N
XLogP7.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dibromo-9-hexylcarbazole
CID 141427471
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
9-(2-decyltetradecyl)carbazole
CID 86094421
11-(2-methylhexyl)benzo[a]carbazole
CID 170243502
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-(2-ethylhexyl)indolo[2,3-a]carbazole
CID 58556520
22-(2-ethylhexyl)-10-thia-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 25212620
3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
CID 63021498
1-bromo-9-heptadecylcarbazole
CID 174836685
1-[11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-3,5,5-trimethylhexan-1-one
CID 141364023
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
9-[2-(bromomethyl)pentyl]carbazole
CID 65011374
1-bromo-9-propylcarbazole
CID 141387102

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-9-(2-ethylhexyl)carbazole?
The IUPAC name of 1,2-dibromo-9-(2-ethylhexyl)carbazole (CID 90003854) is 1,2-dibromo-9-(2-ethylhexyl)carbazole.
What is the SMILES notation for 1,2-dibromo-9-(2-ethylhexyl)carbazole?
The canonical SMILES for 1,2-dibromo-9-(2-ethylhexyl)carbazole is CCCCC(CC)Cn1c2ccccc2c2ccc(Br)c(Br)c21.
What is the InChIKey of 1,2-dibromo-9-(2-ethylhexyl)carbazole?
The InChIKey is SAMTWSKYLUMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2N/c1-3-5-8-14(4-2)13-23-18-10-7-6-9-15(18)16-11-12-17(21)19(22)20(16)23/h6-7,9-12,14H,3-5,8,13H2,1-2H3.
What are the key properties of 1,2-dibromo-9-(2-ethylhexyl)carbazole?
1,2-dibromo-9-(2-ethylhexyl)carbazole has a molecular weight of 437.22 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-9-(2-ethylhexyl)carbazole is sourced from PubChem (CID 90003854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).