4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine

C30H40N10O10P2 — CID 5064491

IUPAC4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine
SMILESO=[N+]([O-])c1ccc(N2N=C(P(=O)(N3CCOCC3)N3CCOCC3)N(c3ccc([N+](=O)[O-])cc3)N=C2P(=O)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C30H40N10O10P2/c41-39(42)27-5-1-25(2-6-27)37-29(51(45,33-9-17-47-18-10-33)34-11-19-48-20-12-34)32-38(26-3-7-28(8-4-26)40(43)44)30(31-37)52(46,35-13-21-49-22-14-35)36-15-23-50-24-16-36/h1-8H,9-24H2
InChIKeyQEXPNMJTGRQZJD-UHFFFAOYSA-N
MW762.66 g/mol
LogP3.09
Rot. Bonds10

About 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine

4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine (PubChem CID 5064491) has the molecular formula C30H40N10O10P2 and a molecular weight of 762.66 g/mol. Its IUPAC name is 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine.

Molecular Properties

Compound Name4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine
PubChem CID5064491
Molecular FormulaC30H40N10O10P2
Molecular Weight762.66 g/mol
Exact Mass762.24
IUPAC Name4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine
SMILESO=[N+]([O-])c1ccc(N2N=C(P(=O)(N3CCOCC3)N3CCOCC3)N(c3ccc([N+](=O)[O-])cc3)N=C2P(=O)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C30H40N10O10P2/c41-39(42)27-5-1-25(2-6-27)37-29(51(45,33-9-17-47-18-10-33)34-11-19-48-20-12-34)32-38(26-3-7-28(8-4-26)40(43)44)30(31-37)52(46,35-13-21-49-22-14-35)36-15-23-50-24-16-36/h1-8H,9-24H2
InChIKeyQEXPNMJTGRQZJD-UHFFFAOYSA-N
XLogP3.09
TPSA201.50 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.66
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
4-(4-nitrophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 23086776
4-(4-nitrophenyl)selanylmorpholine
CID 23279168
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939
5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]pyrazol-3-one
CID 3106077
(4E)-5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]pyrazol-3-one
CID 5290483
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
CID 11859168
2-(4-nitrophenyl)-7-oxa-2-azaspiro[3.5]nonane
CID 118979580
4-cinnamylidene-5-morpholin-4-yl-2-(4-nitrophenyl)pyrazol-3-one
CID 2872207
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 129216917

Frequently Asked Questions

What is the IUPAC name of 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine?
The IUPAC name of 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine (CID 5064491) is 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine.
What is the SMILES notation for 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine?
The canonical SMILES for 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine is O=[N+]([O-])c1ccc(N2N=C(P(=O)(N3CCOCC3)N3CCOCC3)N(c3ccc([N+](=O)[O-])cc3)N=C2P(=O)(N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine?
The InChIKey is QEXPNMJTGRQZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N10O10P2/c41-39(42)27-5-1-25(2-6-27)37-29(51(45,33-9-17-47-18-10-33)34-11-19-48-20-12-34)32-38(26-3-7-28(8-4-26)40(43)44)30(31-37)52(46,35-13-21-49-22-14-35)36-15-23-50-24-16-36/h1-8H,9-24H2.
What are the key properties of 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine?
4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine has a molecular weight of 762.66 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-dimorpholin-4-ylphosphoryl-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazin-3-yl]-morpholin-4-ylphosphoryl]morpholine is sourced from PubChem (CID 5064491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).