potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

C85H90BBr2K3N4O10P2 — CID 159493446

IUPACpotassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
SMILESC=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cccc(C(=C)C)c1-c1cnc2c3cc(OC)ccc3c3ccccc3n12.COc1ccc2c3ccccc3n3c(-c4c(Br)cccc4Br)cnc3c2c1.COc1cccc(OC)c1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C28H24N2O.C26H35O2P.C22H14Br2N2O.C9H17BO2.3K.HO4P/c1-17(2)20-10-8-11-21(18(3)4)27(20)26-16-29-28-24-15-19(31-5)13-14-22(24)23-9-6-7-12-25(23)30(26)28;1-27-24-17-10-18-25(28-2)26(24)20-11-9-16-23(19-20)29(21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-27-13-9-10-14-15-5-2-3-8-19(15)26-20(12-25-22(26)16(14)11-13)21-17(23)6-4-7-18(21)24;1-7(2)10-11-8(3,4)9(5,6)12-10;;;;1-4-5(2)3/h6-16H,1,3H2,2,4-5H3;9-11,16-19,21-22H,3-8,12-15H2,1-2H3;2-12H,1H3;1H2,2-6H3;;;;1H/q;;;;;;+1;/p-1
InChIKeyLYMDDTGGDIKTEO-UHFFFAOYSA-M
MW1677.53 g/mol
LogP18.10
Rot. Bonds14

About potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (PubChem CID 159493446) has the molecular formula C85H90BBr2K3N4O10P2 and a molecular weight of 1677.53 g/mol. Its IUPAC name is potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namepotassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
PubChem CID159493446
Molecular FormulaC85H90BBr2K3N4O10P2
Molecular Weight1677.53 g/mol
Exact Mass1674.35
IUPAC Namepotassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
SMILESC=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cccc(C(=C)C)c1-c1cnc2c3cc(OC)ccc3c3ccccc3n12.COc1ccc2c3ccccc3n3c(-c4c(Br)cccc4Br)cnc3c2c1.COc1cccc(OC)c1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C28H24N2O.C26H35O2P.C22H14Br2N2O.C9H17BO2.3K.HO4P/c1-17(2)20-10-8-11-21(18(3)4)27(20)26-16-29-28-24-15-19(31-5)13-14-22(24)23-9-6-7-12-25(23)30(26)28;1-27-24-17-10-18-25(28-2)26(24)20-11-9-16-23(19-20)29(21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-27-13-9-10-14-15-5-2-3-8-19(15)26-20(12-25-22(26)16(14)11-13)21-17(23)6-4-7-18(21)24;1-7(2)10-11-8(3,4)9(5,6)12-10;;;;1-4-5(2)3/h6-16H,1,3H2,2,4-5H3;9-11,16-19,21-22H,3-8,12-15H2,1-2H3;2-12H,1H3;1H2,2-6H3;;;;1H/q;;;;;;+1;/p-1
InChIKeyLYMDDTGGDIKTEO-UHFFFAOYSA-M
XLogP18.10
TPSA162.40 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001677.53
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The IUPAC name of potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (CID 159493446) is potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.
What is the SMILES notation for potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The canonical SMILES for potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cccc(C(=C)C)c1-c1cnc2c3cc(OC)ccc3c3ccccc3n12.COc1ccc2c3ccccc3n3c(-c4c(Br)cccc4Br)cnc3c2c1.COc1cccc(OC)c1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1.O=[P+]([O-])O[O-].[K+].[K][K].
What is the InChIKey of potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The InChIKey is LYMDDTGGDIKTEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H24N2O.C26H35O2P.C22H14Br2N2O.C9H17BO2.3K.HO4P/c1-17(2)20-10-8-11-21(18(3)4)27(20)26-16-29-28-24-15-19(31-5)13-14-22(24)23-9-6-7-12-25(23)30(26)28;1-27-24-17-10-18-25(28-2)26(24)20-11-9-16-23(19-20)29(21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-27-13-9-10-14-15-5-2-3-8-19(15)26-20(12-25-22(26)16(14)11-13)21-17(23)6-4-7-18(21)24;1-7(2)10-11-8(3,4)9(5,6)12-10;;;;1-4-5(2)3/h6-16H,1,3H2,2,4-5H3;9-11,16-19,21-22H,3-8,12-15H2,1-2H3;2-12H,1H3;1H2,2-6H3;;;;1H/q;;;;;;+1;/p-1.
What are the key properties of potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane has a molecular weight of 1677.53 g/mol, XLogP of 18.10, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-[2,6-bis(prop-1-en-2-yl)phenyl]-11-methoxyimidazo[1,2-f]phenanthridine;3-(2,6-dibromophenyl)-11-methoxyimidazo[1,2-f]phenanthridine;dicyclohexyl-[3-(2,6-dimethoxyphenyl)phenyl]phosphane;oxido-oxidooxy-oxophosphanium;potassiopotassium;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 159493446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).