cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)

C38H40N4O4P2Rh+2 — CID 160873365

IUPACcycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)
SMILESC[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.[C-]1=C\CC/[C-]=C/CC/1.[Rh+2]
InChIInChI=1S/C30H28N4O4P2.C8H10.Rh/c1-17-31-27(35)21-11-5-6-12-22(21)28(36)32(31)18(2)39(17)25-15-9-10-16-26(25)40-19(3)33-29(37)23-13-7-8-14-24(23)30(38)34(33)20(40)4;1-2-4-6-8-7-5-3-1;/h5-20H,1-4H3;1,8H,2,4-5,7H2;/q;-2;+2/p+2/t17-,18-,19-,20-;;/m0../s1
InChIKeyJLWAOLCRKAYMPR-WMRUPOIPSA-P
MW781.62 g/mol
LogP6.10
Rot. Bonds2

About cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)

cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+) (PubChem CID 160873365) has the molecular formula C38H40N4O4P2Rh+2 and a molecular weight of 781.62 g/mol. Its IUPAC name is cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+).

Molecular Properties

Compound Namecycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)
PubChem CID160873365
Molecular FormulaC38H40N4O4P2Rh+2
Molecular Weight781.62 g/mol
Exact Mass781.16
IUPAC Namecycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)
SMILESC[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.[C-]1=C\CC/[C-]=C/CC/1.[Rh+2]
InChIInChI=1S/C30H28N4O4P2.C8H10.Rh/c1-17-31-27(35)21-11-5-6-12-22(21)28(36)32(31)18(2)39(17)25-15-9-10-16-26(25)40-19(3)33-29(37)23-13-7-8-14-24(23)30(38)34(33)20(40)4;1-2-4-6-8-7-5-3-1;/h5-20H,1-4H3;1,8H,2,4-5,7H2;/q;-2;+2/p+2/t17-,18-,19-,20-;;/m0../s1
InChIKeyJLWAOLCRKAYMPR-WMRUPOIPSA-P
XLogP6.10
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.62
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)?
The IUPAC name of cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+) (CID 160873365) is cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+).
What is the SMILES notation for cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)?
The canonical SMILES for cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+) is C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.[C-]1=C\CC/[C-]=C/CC/1.[Rh+2].
What is the InChIKey of cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)?
The InChIKey is JLWAOLCRKAYMPR-WMRUPOIPSA-P. The full InChI is InChI=1S/C30H28N4O4P2.C8H10.Rh/c1-17-31-27(35)21-11-5-6-12-22(21)28(36)32(31)18(2)39(17)25-15-9-10-16-26(25)40-19(3)33-29(37)23-13-7-8-14-24(23)30(38)34(33)20(40)4;1-2-4-6-8-7-5-3-1;/h5-20H,1-4H3;1,8H,2,4-5,7H2;/q;-2;+2/p+2/t17-,18-,19-,20-;;/m0../s1.
What are the key properties of cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+)?
cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+) has a molecular weight of 781.62 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;rhodium(2+) is sourced from PubChem (CID 160873365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).