4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene

C29H28Cl4N6O4P6 — CID 102178732

IUPAC4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene
SMILESClP1(Cl)=NP(c2ccccc2)(c2ccccc2)=NP2(=N1)OCC1(CO2)COP2(=NP(Cl)(Cl)=NP(c3ccccc3)(c3ccccc3)=N2)OC1
InChIInChI=1S/C29H28Cl4N6O4P6/c30-46(31)34-44(25-13-5-1-6-14-25,26-15-7-2-8-16-26)36-48(38-46)40-21-29(22-41-48)23-42-49(43-24-29)37-45(35-47(32,33)39-49,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyNUDGELYVPRWMNZ-UHFFFAOYSA-N
MW852.24 g/mol
LogP12.37
Rot. Bonds4

About 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene

4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene (PubChem CID 102178732) has the molecular formula C29H28Cl4N6O4P6 and a molecular weight of 852.24 g/mol. Its IUPAC name is 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene.

Molecular Properties

Compound Name4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene
PubChem CID102178732
Molecular FormulaC29H28Cl4N6O4P6
Molecular Weight852.24 g/mol
Exact Mass849.94
IUPAC Name4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene
SMILESClP1(Cl)=NP(c2ccccc2)(c2ccccc2)=NP2(=N1)OCC1(CO2)COP2(=NP(Cl)(Cl)=NP(c3ccccc3)(c3ccccc3)=N2)OC1
InChIInChI=1S/C29H28Cl4N6O4P6/c30-46(31)34-44(25-13-5-1-6-14-25,26-15-7-2-8-16-26)36-48(38-46)40-21-29(22-41-48)23-42-49(43-24-29)37-45(35-47(32,33)39-49,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyNUDGELYVPRWMNZ-UHFFFAOYSA-N
XLogP12.37
TPSA111.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.24
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene with MolForge

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Related Compounds

(1S,15S)-1,15-dichloro-17,17-diphenyl-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene
CID 139063722
19,19-dichloro-3,3,4,4,5,5,13,13,14,14,15,15-dodecafluoro-1,7,11,17-tetraoxa-9,18,20-triaza-8λ5,10λ5,19λ5-triphosphadispiro[7.1.710.38]icosa-8,10(18),19-triene
CID 101450295
4,4-dichloro-2,2-diphenyl-7-oxa-1,3,5,11-tetraza-2λ5,4λ5,6λ5-triphosphaspiro[5.5]undeca-1(6),2,4-triene
CID 102578774
2,2,4,4-tetrachloro-9,9,10,10-tetramethyl-7,12-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.6]dodeca-1(6),2,4-triene
CID 66557009
N,N-dibenzyl-2,4,4-trichloro-7,11-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.5]undeca-1,3,5-trien-2-amine
CID 101420044
15,15-dichloro-1,5,9,13-tetraoxa-7,14,16-triaza-6λ5,8λ5,15λ5-triphosphadispiro[5.1.58.36]hexadeca-6,8(14),15-triene
CID 23417879
2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 23417929
3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 12518092
3,9-bis(1-phenylethyl)-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
CID 23546493
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
CID 102075869
CID 102075869
(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
CID 171069326

Frequently Asked Questions

What is the IUPAC name of 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene?
The IUPAC name of 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene (CID 102178732) is 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene.
What is the SMILES notation for 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene?
The canonical SMILES for 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene is ClP1(Cl)=NP(c2ccccc2)(c2ccccc2)=NP2(=N1)OCC1(CO2)COP2(=NP(Cl)(Cl)=NP(c3ccccc3)(c3ccccc3)=N2)OC1.
What is the InChIKey of 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene?
The InChIKey is NUDGELYVPRWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl4N6O4P6/c30-46(31)34-44(25-13-5-1-6-14-25,26-15-7-2-8-16-26)36-48(38-46)40-21-29(22-41-48)23-42-49(43-24-29)37-45(35-47(32,33)39-49,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene?
4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene has a molecular weight of 852.24 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,16,16-tetrachloro-2,2,14,14-tetraphenyl-7,11,18,21-tetraoxa-1,3,5,13,15,17-hexaza-2λ5,4λ5,6λ5,12λ5,14λ5,16λ5-hexaphosphatrispiro[5.2.2.512.29.26]henicosa-1,3,5,12(17),13,15-hexaene is sourced from PubChem (CID 102178732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).