carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione

C30H28ClN2O2PRh+ — CID 59695548

IUPACcarbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione
SMILESCl[Rh+2].O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.[CH3-].[CH3-]
InChIInChI=1S/C28H21N2O2P.2CH3.ClH.Rh/c31-25-23-18-10-11-19-24(23)26(32)30-28(21-14-6-2-7-15-21)33(22-16-8-3-9-17-22)27(29(25)30)20-12-4-1-5-13-20;;;;/h1-19,27-28H;2*1H3;1H;/q;2*-1;;+3/t27-,28-;;;;/m0..../s1
InChIKeyGMPKXANBQWYVFP-XVTMMIJWSA-N
MW617.90 g/mol
LogP6.40
Rot. Bonds3

About carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione

carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione (PubChem CID 59695548) has the molecular formula C30H28ClN2O2PRh+ and a molecular weight of 617.90 g/mol. Its IUPAC name is carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione.

Molecular Properties

Compound Namecarbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione
PubChem CID59695548
Molecular FormulaC30H28ClN2O2PRh+
Molecular Weight617.90 g/mol
Exact Mass617.06
IUPAC Namecarbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione
SMILESCl[Rh+2].O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.[CH3-].[CH3-]
InChIInChI=1S/C28H21N2O2P.2CH3.ClH.Rh/c31-25-23-18-10-11-19-24(23)26(32)30-28(21-14-6-2-7-15-21)33(22-16-8-3-9-17-22)27(29(25)30)20-12-4-1-5-13-20;;;;/h1-19,27-28H;2*1H3;1H;/q;2*-1;;+3/t27-,28-;;;;/m0..../s1
InChIKeyGMPKXANBQWYVFP-XVTMMIJWSA-N
XLogP6.40
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.90
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione?
The IUPAC name of carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione (CID 59695548) is carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione.
What is the SMILES notation for carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione?
The canonical SMILES for carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione is Cl[Rh+2].O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.[CH3-].[CH3-].
What is the InChIKey of carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione?
The InChIKey is GMPKXANBQWYVFP-XVTMMIJWSA-N. The full InChI is InChI=1S/C28H21N2O2P.2CH3.ClH.Rh/c31-25-23-18-10-11-19-24(23)26(32)30-28(21-14-6-2-7-15-21)33(22-16-8-3-9-17-22)27(29(25)30)20-12-4-1-5-13-20;;;;/h1-19,27-28H;2*1H3;1H;/q;2*-1;;+3/t27-,28-;;;;/m0..../s1.
What are the key properties of carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione?
carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione has a molecular weight of 617.90 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlororhodium(2+);(1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione is sourced from PubChem (CID 59695548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).