(1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione

C41H34N4O4P2 — CID 90792049

IUPAC(1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
SMILESC[C@@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](c2ccccc2)P1CCP1[C@@H](c2ccccc2)n2c(=O)c3ccccc3c(=O)n2[C@@H]1c1ccccc1
InChIInChI=1S/C41H34N4O4P2/c1-27-42-35(46)31-21-11-12-22-32(31)36(47)43(42)39(28-15-5-2-6-16-28)50(27)25-26-51-40(29-17-7-3-8-18-29)44-37(48)33-23-13-14-24-34(33)38(49)45(44)41(51)30-19-9-4-10-20-30/h2-24,27,39-41H,25-26H2,1H3/t27-,39+,40+,41+,50?/m1/s1
InChIKeyDEHZYNVTSOTGNC-YXPSJYGRSA-N
MW708.70 g/mol
LogP7.49
Rot. Bonds6

About (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione

(1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione (PubChem CID 90792049) has the molecular formula C41H34N4O4P2 and a molecular weight of 708.70 g/mol. Its IUPAC name is (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione.

Molecular Properties

Compound Name(1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
PubChem CID90792049
Molecular FormulaC41H34N4O4P2
Molecular Weight708.70 g/mol
Exact Mass708.21
IUPAC Name(1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
SMILESC[C@@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](c2ccccc2)P1CCP1[C@@H](c2ccccc2)n2c(=O)c3ccccc3c(=O)n2[C@@H]1c1ccccc1
InChIInChI=1S/C41H34N4O4P2/c1-27-42-35(46)31-21-11-12-22-32(31)36(47)43(42)39(28-15-5-2-6-16-28)50(27)25-26-51-40(29-17-7-3-8-18-29)44-37(48)33-23-13-14-24-34(33)38(49)45(44)41(51)30-19-9-4-10-20-30/h2-24,27,39-41H,25-26H2,1H3/t27-,39+,40+,41+,50?/m1/s1
InChIKeyDEHZYNVTSOTGNC-YXPSJYGRSA-N
XLogP7.49
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.70
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The IUPAC name of (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione (CID 90792049) is (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione.
What is the SMILES notation for (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The canonical SMILES for (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione is C[C@@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](c2ccccc2)P1CCP1[C@@H](c2ccccc2)n2c(=O)c3ccccc3c(=O)n2[C@@H]1c1ccccc1.
What is the InChIKey of (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The InChIKey is DEHZYNVTSOTGNC-YXPSJYGRSA-N. The full InChI is InChI=1S/C41H34N4O4P2/c1-27-42-35(46)31-21-11-12-22-32(31)36(47)43(42)39(28-15-5-2-6-16-28)50(27)25-26-51-40(29-17-7-3-8-18-29)44-37(48)33-23-13-14-24-34(33)38(49)45(44)41(51)30-19-9-4-10-20-30/h2-24,27,39-41H,25-26H2,1H3/t27-,39+,40+,41+,50?/m1/s1.
What are the key properties of (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
(1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione has a molecular weight of 708.70 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-[2-[(1S,3S)-5,10-dioxo-1,3-diphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-yl]ethyl]-1-methyl-3-phenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione is sourced from PubChem (CID 90792049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).