2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole

C23H27Br2I2N — CID 141263543

IUPAC2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole
SMILESCCCCCC(CCCC)Cn1c2cc(Br)c(I)cc2c2cc(I)c(Br)cc21
InChIInChI=1S/C23H27Br2I2N/c1-3-5-7-9-15(8-6-4-2)14-28-22-12-18(24)20(26)10-16(22)17-11-21(27)19(25)13-23(17)28/h10-13,15H,3-9,14H2,1-2H3
InChIKeyDJFGHGHOAOVXAQ-UHFFFAOYSA-N
MW731.09 g/mol
LogP9.92
Rot. Bonds9

About 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole

2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole (PubChem CID 141263543) has the molecular formula C23H27Br2I2N and a molecular weight of 731.09 g/mol. Its IUPAC name is 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole.

Molecular Properties

Compound Name2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole
PubChem CID141263543
Molecular FormulaC23H27Br2I2N
Molecular Weight731.09 g/mol
Exact Mass728.86
IUPAC Name2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole
SMILESCCCCCC(CCCC)Cn1c2cc(Br)c(I)cc2c2cc(I)c(Br)cc21
InChIInChI=1S/C23H27Br2I2N/c1-3-5-7-9-15(8-6-4-2)14-28-22-12-18(24)20(26)10-16(22)17-11-21(27)19(25)13-23(17)28/h10-13,15H,3-9,14H2,1-2H3
InChIKeyDJFGHGHOAOVXAQ-UHFFFAOYSA-N
XLogP9.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.09
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole
CID 153380542
9-(2-decyltetradecyl)carbazole
CID 86094421
2,7-dibromo-9-(2-ethylhexyl)-3,6-dinitrocarbazole
CID 12982433
15-(2-decyltetradecyl)-5,25-dithia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 122382230
3,8-dibromo-5-(2-octyldodecyl)phenanthridin-6-one
CID 132536074
[2,7-dibromo-9-(2-ethylhexyl)-6-(4-octylbenzoyl)carbazol-3-yl]-(4-octylphenyl)methanone
CID 12982435
7-(2-decyltetradecyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 102167313
2,3,6,7-tetrabromo-9-butylcarbazole
CID 123674522
6-bromo-1,2,3,4-tetrabutyl-7-iodonaphthalene
CID 141474062
2,9-bis(2-butyloctyl)-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
CID 102220061
6,16-dibromo-9,19-bis(2-octyldodecyl)-5,15-dithia-9,19-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaene-10,20-dione
CID 133064952
9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole
CID 122382229

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole?
The IUPAC name of 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole (CID 141263543) is 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole.
What is the SMILES notation for 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole?
The canonical SMILES for 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole is CCCCCC(CCCC)Cn1c2cc(Br)c(I)cc2c2cc(I)c(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole?
The InChIKey is DJFGHGHOAOVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Br2I2N/c1-3-5-7-9-15(8-6-4-2)14-28-22-12-18(24)20(26)10-16(22)17-11-21(27)19(25)13-23(17)28/h10-13,15H,3-9,14H2,1-2H3.
What are the key properties of 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole?
2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole has a molecular weight of 731.09 g/mol, XLogP of 9.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole is sourced from PubChem (CID 141263543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).