carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)

C28H41N3OSU — CID 171538663

IUPACcarbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)
SMILESC=C/C=c1\c(=C/C)ncn1C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C.ON[S-].[CH3-].[U+2]
InChIInChI=1S/C27H36N2.CH3.H2NOS.U/c1-5-9-24-23(6-2)28-18-29(24)25-14-13-21-20-12-11-19-10-7-8-16-26(19,3)22(20)15-17-27(21,25)4;;2-1-3;/h5-6,9,11,14,18,20-22H,1,7-8,10,12-13,15-17H2,2-4H3;1H3;1-2H;/q;2*-1;+2/b23-6+,24-9+;;;
InChIKeyQLXZPOJXIMWHSF-SDWZTGCRSA-N
MW705.75 g/mol
LogP5.33
Rot. Bonds2

About carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)

carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+) (PubChem CID 171538663) has the molecular formula C28H41N3OSU and a molecular weight of 705.75 g/mol. Its IUPAC name is carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+).

Molecular Properties

Compound Namecarbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)
PubChem CID171538663
Molecular FormulaC28H41N3OSU
Molecular Weight705.75 g/mol
Exact Mass705.35
IUPAC Namecarbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)
SMILESC=C/C=c1\c(=C/C)ncn1C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C.ON[S-].[CH3-].[U+2]
InChIInChI=1S/C27H36N2.CH3.H2NOS.U/c1-5-9-24-23(6-2)28-18-29(24)25-14-13-21-20-12-11-19-10-7-8-16-26(19,3)22(20)15-17-27(21,25)4;;2-1-3;/h5-6,9,11,14,18,20-22H,1,7-8,10,12-13,15-17H2,2-4H3;1H3;1-2H;/q;2*-1;+2/b23-6+,24-9+;;;
InChIKeyQLXZPOJXIMWHSF-SDWZTGCRSA-N
XLogP5.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.75
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)?
The IUPAC name of carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+) (CID 171538663) is carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+).
What is the SMILES notation for carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)?
The canonical SMILES for carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+) is C=C/C=c1\c(=C/C)ncn1C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C.ON[S-].[CH3-].[U+2].
What is the InChIKey of carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)?
The InChIKey is QLXZPOJXIMWHSF-SDWZTGCRSA-N. The full InChI is InChI=1S/C27H36N2.CH3.H2NOS.U/c1-5-9-24-23(6-2)28-18-29(24)25-14-13-21-20-12-11-19-10-7-8-16-26(19,3)22(20)15-17-27(21,25)4;;2-1-3;/h5-6,9,11,14,18,20-22H,1,7-8,10,12-13,15-17H2,2-4H3;1H3;1-2H;/q;2*-1;+2/b23-6+,24-9+;;;.
What are the key properties of carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)?
carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+) has a molecular weight of 705.75 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+) is sourced from PubChem (CID 171538663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).