carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane

C118H68Br16N16O16 — CID 158221327

IUPACcarbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane
SMILESC.C.C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4cc(Br)cc(Br)c4N3C(=O)c3ccncc3)C(=O)c3cc(Br)cc(Br)c32)cc1.C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4cc(Br)cc(Br)c4N3C(=O)c3ccncc3)C(=O)c3cc(Br)cc(Br)c32)cc1.O=C1/C(=C2/C(=O)c3cc(Br)cc(Br)c3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2c(Br)cc(Br)cc21.O=C1/C(=C2/C(=O)c3cc(Br)cc(Br)c3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2c(Br)cc(Br)cc21.[CH3-].[CH3-]
InChIInChI=1S/2C29H15Br4N4O4.2C28H12Br4N4O4.2CH4.2CH3/c2*1-35-8-4-15(5-9-35)29(41)37-23-19(11-17(31)13-21(23)33)27(39)25(37)24-26(38)18-10-16(30)12-20(32)22(18)36(24)28(40)14-2-6-34-7-3-14;2*29-13-9-15-21(17(31)11-13)35(27(39)19-5-1-3-7-33-19)23(25(15)37)24-26(38)16-10-14(30)12-18(32)22(16)36(24)28(40)20-6-2-4-8-34-20;;;;/h2*2-13H,1H3;2*1-12H;2*1H4;2*1H3/q2*+1;;;;;2*-1/b2*25-24+;2*24-23+;;;;
InChIKeyORHAOCCRLKZQGM-UYZADKMFSA-N
MW3244.40 g/mol
LogP29.53
Rot. Bonds8

About carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane

carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane (PubChem CID 158221327) has the molecular formula C118H68Br16N16O16 and a molecular weight of 3244.40 g/mol. Its IUPAC name is carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane.

Molecular Properties

Compound Namecarbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane
PubChem CID158221327
Molecular FormulaC118H68Br16N16O16
Molecular Weight3244.40 g/mol
Exact Mass3227.19
IUPAC Namecarbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane
SMILESC.C.C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4cc(Br)cc(Br)c4N3C(=O)c3ccncc3)C(=O)c3cc(Br)cc(Br)c32)cc1.C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4cc(Br)cc(Br)c4N3C(=O)c3ccncc3)C(=O)c3cc(Br)cc(Br)c32)cc1.O=C1/C(=C2/C(=O)c3cc(Br)cc(Br)c3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2c(Br)cc(Br)cc21.O=C1/C(=C2/C(=O)c3cc(Br)cc(Br)c3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2c(Br)cc(Br)cc21.[CH3-].[CH3-]
InChIInChI=1S/2C29H15Br4N4O4.2C28H12Br4N4O4.2CH4.2CH3/c2*1-35-8-4-15(5-9-35)29(41)37-23-19(11-17(31)13-21(23)33)27(39)25(37)24-26(38)18-10-16(30)12-20(32)22(18)36(24)28(40)14-2-6-34-7-3-14;2*29-13-9-15-21(17(31)11-13)35(27(39)19-5-1-3-7-33-19)23(25(15)37)24-26(38)16-10-14(30)12-18(32)22(16)36(24)28(40)20-6-2-4-8-34-20;;;;/h2*2-13H,1H3;2*1-12H;2*1H4;2*1H3/q2*+1;;;;;2*-1/b2*25-24+;2*24-23+;;;;
InChIKeyORHAOCCRLKZQGM-UYZADKMFSA-N
XLogP29.53
TPSA384.14 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003244.40
LogP ≤ 529.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane 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

(2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one
CID 153424369
(2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(1-methylpyridin-1-ium-4-carbonyl)indol-3-one
CID 153424370
(2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(1-methylpyridin-1-ium-2-carbonyl)indol-3-one
CID 153424372
(2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one
CID 153424373
(2E)-1-(1-ethylpyridin-1-ium-2-carbonyl)-2-[1-[1-[4-[2-[(2E)-2-[1-(1-ethylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-3-oxoindole-1-carbonyl]pyridin-1-ium-1-yl]butyl]pyridin-1-ium-2-carbonyl]-3-oxoindol-2-ylidene]indol-3-one
CID 156514985
bis((2E)-1-(1-methylpyridin-1-ium-4-carbonyl)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]indol-3-one);(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
CID 157086280
(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)
CID 157190372
4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;4-[(2-benzyl-8-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide
CID 157495629
bis((2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);iodide
CID 157658310
carbanide;(2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(1-methylpyridin-1-ium-2-carbonyl)indol-3-one;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane
CID 158130806
methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one
CID 158135201
(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-2-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-3-carbonyl)indol-3-one;(2Z)-2-(3-oxo-1H-inden-2-ylidene)-1-(pyridine-4-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one;(2E)-2-[3-oxo-1-(pyridine-4-carbonyl)indol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
CID 158304630

Frequently Asked Questions

What is the IUPAC name of carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane?
The IUPAC name of carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane (CID 158221327) is carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane.
What is the SMILES notation for carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane?
The canonical SMILES for carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane is C.C.C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4cc(Br)cc(Br)c4N3C(=O)c3ccncc3)C(=O)c3cc(Br)cc(Br)c32)cc1.C[n+]1ccc(C(=O)N2/C(=C3\C(=O)c4cc(Br)cc(Br)c4N3C(=O)c3ccncc3)C(=O)c3cc(Br)cc(Br)c32)cc1.O=C1/C(=C2/C(=O)c3cc(Br)cc(Br)c3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2c(Br)cc(Br)cc21.O=C1/C(=C2/C(=O)c3cc(Br)cc(Br)c3N2C(=O)c2ccccn2)N(C(=O)c2ccccn2)c2c(Br)cc(Br)cc21.[CH3-].[CH3-].
What is the InChIKey of carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane?
The InChIKey is ORHAOCCRLKZQGM-UYZADKMFSA-N. The full InChI is InChI=1S/2C29H15Br4N4O4.2C28H12Br4N4O4.2CH4.2CH3/c2*1-35-8-4-15(5-9-35)29(41)37-23-19(11-17(31)13-21(23)33)27(39)25(37)24-26(38)18-10-16(30)12-20(32)22(18)36(24)28(40)14-2-6-34-7-3-14;2*29-13-9-15-21(17(31)11-13)35(27(39)19-5-1-3-7-33-19)23(25(15)37)24-26(38)16-10-14(30)12-18(32)22(16)36(24)28(40)20-6-2-4-8-34-20;;;;/h2*2-13H,1H3;2*1-12H;2*1H4;2*1H3/q2*+1;;;;;2*-1/b2*25-24+;2*24-23+;;;;.
What are the key properties of carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane?
carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane has a molecular weight of 3244.40 g/mol, XLogP of 29.53, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis((2E)-5,7-dibromo-2-[5,7-dibromo-1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one);bis((2E)-5,7-dibromo-2-[5,7-dibromo-3-oxo-1-(pyridine-2-carbonyl)indol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one);methane is sourced from PubChem (CID 158221327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).