(1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione

C28H21N2O2P — CID 59695538

IUPAC(1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
SMILESO=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)P(c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C28H21N2O2P/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/t27-,28-/m0/s1
InChIKeyFLTTWPFFESFXOB-NSOVKSMOSA-N
MW448.46 g/mol
LogP5.08
Rot. Bonds3

About (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione

(1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione (PubChem CID 59695538) has the molecular formula C28H21N2O2P and a molecular weight of 448.46 g/mol. Its IUPAC name is (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione.

Molecular Properties

Compound Name(1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
PubChem CID59695538
Molecular FormulaC28H21N2O2P
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC Name(1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
SMILESO=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)P(c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C28H21N2O2P/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/t27-,28-/m0/s1
InChIKeyFLTTWPFFESFXOB-NSOVKSMOSA-N
XLogP5.08
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The IUPAC name of (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione (CID 59695538) is (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione.
What is the SMILES notation for (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The canonical SMILES for (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione is O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)P(c1ccccc1)[C@H]2c1ccccc1.
What is the InChIKey of (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The InChIKey is FLTTWPFFESFXOB-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H21N2O2P/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/t27-,28-/m0/s1.
What are the key properties of (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
(1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione has a molecular weight of 448.46 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1,2,3-triphenyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione is sourced from PubChem (CID 59695538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).