potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate

C61H83Br2I2KN2O3 — CID 165080241

IUPACpotassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CCCCn1c2c(c3ccc(I)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.CCCCn1c2c(c3ccc(I)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.COCCO.[K+]
InChIInChI=1S/2C27H33BrIN.C4H9O.C3H8O2.K/c2*1-4-7-14-27(15-8-5-2)23-17-19(28)10-12-21(23)26-25(27)22-13-11-20(29)18-24(22)30(26)16-9-6-3;1-4(2,3)5;1-5-3-2-4;/h2*10-13,17-18H,4-9,14-16H2,1-3H3;1-3H3;4H,2-3H2,1H3;/q;;-1;;+1
InChIKeyUZMDMVOZNSGBAI-UHFFFAOYSA-N
MW1345.06 g/mol
LogP15.69
Rot. Bonds20

About potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate

potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate (PubChem CID 165080241) has the molecular formula C61H83Br2I2KN2O3 and a molecular weight of 1345.06 g/mol. Its IUPAC name is potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate
PubChem CID165080241
Molecular FormulaC61H83Br2I2KN2O3
Molecular Weight1345.06 g/mol
Exact Mass1342.25
IUPAC Namepotassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CCCCn1c2c(c3ccc(I)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.CCCCn1c2c(c3ccc(I)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.COCCO.[K+]
InChIInChI=1S/2C27H33BrIN.C4H9O.C3H8O2.K/c2*1-4-7-14-27(15-8-5-2)23-17-19(28)10-12-21(23)26-25(27)22-13-11-20(29)18-24(22)30(26)16-9-6-3;1-4(2,3)5;1-5-3-2-4;/h2*10-13,17-18H,4-9,14-16H2,1-3H3;1-3H3;4H,2-3H2,1H3;/q;;-1;;+1
InChIKeyUZMDMVOZNSGBAI-UHFFFAOYSA-N
XLogP15.69
TPSA62.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.06
LogP ≤ 515.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);4-methylbenzenesulfonyl chloride
CID 159333709
2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole
CID 160526682
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
2-[2,7-dibromo-9-(2-methoxyethyl)fluoren-9-yl]ethanol
CID 90399566
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
4-[7-[2-(5,10,10-trihexylindeno[1,2-b]indol-7-yl)ethynyl]-2,1,3-benzothiadiazol-4-yl]benzoic acid
CID 132508131
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
CID 86231316
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153

Frequently Asked Questions

What is the IUPAC name of potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate?
The IUPAC name of potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate (CID 165080241) is potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate.
What is the SMILES notation for potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate?
The canonical SMILES for potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate is CC(C)(C)[O-].CCCCn1c2c(c3ccc(I)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.CCCCn1c2c(c3ccc(I)cc31)C(CCCC)(CCCC)c1cc(Br)ccc1-2.COCCO.[K+].
What is the InChIKey of potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate?
The InChIKey is UZMDMVOZNSGBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H33BrIN.C4H9O.C3H8O2.K/c2*1-4-7-14-27(15-8-5-2)23-17-19(28)10-12-21(23)26-25(27)22-13-11-20(29)18-24(22)30(26)16-9-6-3;1-4(2,3)5;1-5-3-2-4;/h2*10-13,17-18H,4-9,14-16H2,1-3H3;1-3H3;4H,2-3H2,1H3;/q;;-1;;+1.
What are the key properties of potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate?
potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate has a molecular weight of 1345.06 g/mol, XLogP of 15.69, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(2-bromo-5,10,10-tributyl-7-iodoindeno[1,2-b]indole);2-methoxyethanol;2-methylpropan-2-olate is sourced from PubChem (CID 165080241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).