10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene

C19H24N4O2P2 — CID 146962146

IUPAC10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene
SMILESCN1CCN2CN3CCN(C)P3Oc3ccccc3-c3ccccc3OP12
InChIInChI=1S/C19H24N4O2P2/c1-20-11-13-22-15-23-14-12-21(2)27(23)25-19-10-6-4-8-17(19)16-7-3-5-9-18(16)24-26(20)22/h3-10H,11-15H2,1-2H3
InChIKeyAKUFOFQOWMDNRH-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.03
Rot. Bonds

About 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene

10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene (PubChem CID 146962146) has the molecular formula C19H24N4O2P2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene.

Molecular Properties

Compound Name10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene
PubChem CID146962146
Molecular FormulaC19H24N4O2P2
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene
SMILESCN1CCN2CN3CCN(C)P3Oc3ccccc3-c3ccccc3OP12
InChIInChI=1S/C19H24N4O2P2/c1-20-11-13-22-15-23-14-12-21(2)27(23)25-19-10-6-4-8-17(19)16-7-3-5-9-18(16)24-26(20)22/h3-10H,11-15H2,1-2H3
InChIKeyAKUFOFQOWMDNRH-UHFFFAOYSA-N
XLogP4.03
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene with MolForge

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Related Compounds

3-Tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228125
2-[2-[2-[(1,3-Dimethyl-1,3,2-diazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3-dimethyl-1,3,2-diazaphospholidine
CID 145517587

Frequently Asked Questions

What is the IUPAC name of 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene?
The IUPAC name of 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene (CID 146962146) is 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene.
What is the SMILES notation for 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene?
The canonical SMILES for 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene is CN1CCN2CN3CCN(C)P3Oc3ccccc3-c3ccccc3OP12.
What is the InChIKey of 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene?
The InChIKey is AKUFOFQOWMDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2P2/c1-20-11-13-22-15-23-14-12-21(2)27(23)25-19-10-6-4-8-17(19)16-7-3-5-9-18(16)24-26(20)22/h3-10H,11-15H2,1-2H3.
What are the key properties of 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene?
10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene has a molecular weight of 402.38 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene is sourced from PubChem (CID 146962146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).