3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene

C32H35P3 — CID 101434382

IUPAC3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SMILESc1ccc(P2CCCP(c3ccccc3)Cc3cccc(c3)CP(c3ccccc3)CCC2)cc1
InChIInChI=1S/C32H35P3/c1-4-15-30(16-5-1)33-21-11-23-34(31-17-6-2-7-18-31)26-28-13-10-14-29(25-28)27-35(24-12-22-33)32-19-8-3-9-20-32/h1-10,13-20,25H,11-12,21-24,26-27H2
InChIKeyMJCYDHKTBUTAMF-UHFFFAOYSA-N
MW512.55 g/mol
LogP7.90
Rot. Bonds3

About 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene

3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene (PubChem CID 101434382) has the molecular formula C32H35P3 and a molecular weight of 512.55 g/mol. Its IUPAC name is 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene.

Molecular Properties

Compound Name3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene
PubChem CID101434382
Molecular FormulaC32H35P3
Molecular Weight512.55 g/mol
Exact Mass512.20
IUPAC Name3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SMILESc1ccc(P2CCCP(c3ccccc3)Cc3cccc(c3)CP(c3ccccc3)CCC2)cc1
InChIInChI=1S/C32H35P3/c1-4-15-30(16-5-1)33-21-11-23-34(31-17-6-2-7-18-31)26-28-13-10-14-29(25-28)27-35(24-12-22-33)32-19-8-3-9-20-32/h1-10,13-20,25H,11-12,21-24,26-27H2
InChIKeyMJCYDHKTBUTAMF-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene with MolForge

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Related Compounds

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1-methyl-4-phenyl-1,4-azaphosphinane
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chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide
CID 11320642
1-phenylphosphinane-4-carboxylic acid
CID 143517103
pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 11740710
CID 11732643
CID 11732643
3,4-dimethyl-1-phenylphospholane
CID 11732644
3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
CID 177448314
1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane
CID 134976395
3-methyl-1-phenyl-1,4,7-triphosphecane
CID 16686339
pentacyclo[22.2.2.16,20.110,14.05,18]triaconta-1(27),5,10(30),11,13,18,20(29),24(28),25-nonaene
CID 102080000

Frequently Asked Questions

What is the IUPAC name of 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The IUPAC name of 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene (CID 101434382) is 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene.
What is the SMILES notation for 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The canonical SMILES for 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene is c1ccc(P2CCCP(c3ccccc3)Cc3cccc(c3)CP(c3ccccc3)CCC2)cc1.
What is the InChIKey of 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The InChIKey is MJCYDHKTBUTAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35P3/c1-4-15-30(16-5-1)33-21-11-23-34(31-17-6-2-7-18-31)26-28-13-10-14-29(25-28)27-35(24-12-22-33)32-19-8-3-9-20-32/h1-10,13-20,25H,11-12,21-24,26-27H2.
What are the key properties of 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene has a molecular weight of 512.55 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene is sourced from PubChem (CID 101434382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).