7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane

C78H106B3Br5I4N7O6PS — CID 160637345

IUPAC7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane
SMILESBrc1cccc2c(C3CC3)c[nH]c12.Brc1cccc2c(I)c[nH]c12.Brc1cccc2cc[nH]c12.C.C.C.C.C.C.C.C.CC1(C)OB(c2cccc3c(C4CC4)c[nH]c23)OC1(C)C.COCn1cc(C2CC2)c2cccc(Br)c21.COCn1cc(I)c2cccc(Br)c21.OB(O)C1CC1.[NH-][P+](I)=S=BI
InChIInChI=1S/C17H22BNO2.C13H14BrNO.C11H10BrN.C10H9BrINO.C8H5BrIN.C8H6BrN.C3H7BO2.8CH4.BHI2NPS/c1-16(2)17(3,4)21-18(20-16)14-7-5-6-12-13(11-8-9-11)10-19-15(12)14;1-16-8-15-7-11(9-5-6-9)10-3-2-4-12(14)13(10)15;12-10-3-1-2-8-9(7-4-5-7)6-13-11(8)10;1-14-6-13-5-9(12)7-3-2-4-8(11)10(7)13;9-6-3-1-2-5-7(10)4-11-8(5)6;9-7-3-1-2-6-4-5-10-8(6)7;5-4(6)3-1-2-3;;;;;;;;;2-1-6-5(3)4/h5-7,10-11,19H,8-9H2,1-4H3;2-4,7,9H,5-6,8H2,1H3;1-3,6-7,13H,4-5H2;2-5H,6H2,1H3;1-4,11H;1-5,10H;3,5-6H,1-2H2;8*1H4;4H
InChIKeyRISCCEYZBJSMGB-UHFFFAOYSA-N
MW2240.36 g/mol
LogP28.58
Rot. Bonds9

About 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane

7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane (PubChem CID 160637345) has the molecular formula C78H106B3Br5I4N7O6PS and a molecular weight of 2240.36 g/mol. Its IUPAC name is 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane.

Molecular Properties

Compound Name7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane
PubChem CID160637345
Molecular FormulaC78H106B3Br5I4N7O6PS
Molecular Weight2240.36 g/mol
Exact Mass2235.00
IUPAC Name7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane
SMILESBrc1cccc2c(C3CC3)c[nH]c12.Brc1cccc2c(I)c[nH]c12.Brc1cccc2cc[nH]c12.C.C.C.C.C.C.C.C.CC1(C)OB(c2cccc3c(C4CC4)c[nH]c23)OC1(C)C.COCn1cc(C2CC2)c2cccc(Br)c21.COCn1cc(I)c2cccc(Br)c21.OB(O)C1CC1.[NH-][P+](I)=S=BI
InChIInChI=1S/C17H22BNO2.C13H14BrNO.C11H10BrN.C10H9BrINO.C8H5BrIN.C8H6BrN.C3H7BO2.8CH4.BHI2NPS/c1-16(2)17(3,4)21-18(20-16)14-7-5-6-12-13(11-8-9-11)10-19-15(12)14;1-16-8-15-7-11(9-5-6-9)10-3-2-4-12(14)13(10)15;12-10-3-1-2-8-9(7-4-5-7)6-13-11(8)10;1-14-6-13-5-9(12)7-3-2-4-8(11)10(7)13;9-6-3-1-2-5-7(10)4-11-8(5)6;9-7-3-1-2-6-4-5-10-8(6)7;5-4(6)3-1-2-3;;;;;;;;;2-1-6-5(3)4/h5-7,10-11,19H,8-9H2,1-4H3;2-4,7,9H,5-6,8H2,1H3;1-3,6-7,13H,4-5H2;2-5H,6H2,1H3;1-4,11H;1-5,10H;3,5-6H,1-2H2;8*1H4;4H
InChIKeyRISCCEYZBJSMGB-UHFFFAOYSA-N
XLogP28.58
TPSA174.20 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002240.36
LogP ≤ 528.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane with MolForge

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Related Compounds

7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
CID 158507592
5-bromo-1H-indole;1-(bromomethyl)-4-methylbenzene;5-bromo-1-[(4-methylphenyl)methyl]indole;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159285491
5-bromo-1H-indole;1-(bromomethyl)-4-methylbenzene;5-bromo-1-[(4-methylphenyl)methyl]indole;methane;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159327635
7-bromo-3-cyclopropyl-5-fluoro-1H-indole;7-bromo-3-cyclopropyl-5-fluoro-1-(methoxymethyl)indole;7-bromo-5-fluoro-1H-indole;7-bromo-5-fluoro-3-iodo-1H-indole;7-bromo-5-fluoro-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 160203352

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane?
The IUPAC name of 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane (CID 160637345) is 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane.
What is the SMILES notation for 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane?
The canonical SMILES for 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane is Brc1cccc2c(C3CC3)c[nH]c12.Brc1cccc2c(I)c[nH]c12.Brc1cccc2cc[nH]c12.C.C.C.C.C.C.C.C.CC1(C)OB(c2cccc3c(C4CC4)c[nH]c23)OC1(C)C.COCn1cc(C2CC2)c2cccc(Br)c21.COCn1cc(I)c2cccc(Br)c21.OB(O)C1CC1.[NH-][P+](I)=S=BI.
What is the InChIKey of 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane?
The InChIKey is RISCCEYZBJSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BNO2.C13H14BrNO.C11H10BrN.C10H9BrINO.C8H5BrIN.C8H6BrN.C3H7BO2.8CH4.BHI2NPS/c1-16(2)17(3,4)21-18(20-16)14-7-5-6-12-13(11-8-9-11)10-19-15(12)14;1-16-8-15-7-11(9-5-6-9)10-3-2-4-12(14)13(10)15;12-10-3-1-2-8-9(7-4-5-7)6-13-11(8)10;1-14-6-13-5-9(12)7-3-2-4-8(11)10(7)13;9-6-3-1-2-5-7(10)4-11-8(5)6;9-7-3-1-2-6-4-5-10-8(6)7;5-4(6)3-1-2-3;;;;;;;;;2-1-6-5(3)4/h5-7,10-11,19H,8-9H2,1-4H3;2-4,7,9H,5-6,8H2,1H3;1-3,6-7,13H,4-5H2;2-5H,6H2,1H3;1-4,11H;1-5,10H;3,5-6H,1-2H2;8*1H4;4H.
What are the key properties of 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane?
7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane has a molecular weight of 2240.36 g/mol, XLogP of 28.58, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclopropyl-1H-indole;7-bromo-3-cyclopropyl-1-(methoxymethyl)indole;7-bromo-1H-indole;7-bromo-3-iodo-1H-indole;7-bromo-3-iodo-1-(methoxymethyl)indole;cyclopropylboronic acid;3-cyclopropyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;[iodo-(iodoboranylidene-λ4-sulfanylidene)phosphaniumyl]azanide;methane is sourced from PubChem (CID 160637345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).