heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane

C74H99P — CID 90785640

IUPACheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane
SMILESC1CC2CCC3C4CCC5CCC6CCC(C7CCC1C2C73)C4C65.C1CCC2CC3C(CC2C1)C1CCC2C4CCC5CCC6CCC(C7CCC3C1C27)C4C56.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H48.C24H36.C18H15P/c1-2-4-20-16-28-26-14-12-24-22-10-8-18-6-5-17-7-9-21(30(22)29(17)18)23-11-13-25(32(26)31(23)24)27(28)15-19(20)3-1;1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-32H,1-16H2;13-24H,1-12H2;1-15H
InChIKeyVRUXSJJFPHVVCU-UHFFFAOYSA-N
MW1019.58 g/mol
LogP17.81
Rot. Bonds3

About heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane

heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane (PubChem CID 90785640) has the molecular formula C74H99P and a molecular weight of 1019.58 g/mol. Its IUPAC name is heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane.

Molecular Properties

Compound Nameheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane
PubChem CID90785640
Molecular FormulaC74H99P
Molecular Weight1019.58 g/mol
Exact Mass1018.75
IUPAC Nameheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane
SMILESC1CC2CCC3C4CCC5CCC6CCC(C7CCC1C2C73)C4C65.C1CCC2CC3C(CC2C1)C1CCC2C4CCC5CCC6CCC(C7CCC3C1C27)C4C56.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H48.C24H36.C18H15P/c1-2-4-20-16-28-26-14-12-24-22-10-8-18-6-5-17-7-9-21(30(22)29(17)18)23-11-13-25(32(26)31(23)24)27(28)15-19(20)3-1;1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-32H,1-16H2;13-24H,1-12H2;1-15H
InChIKeyVRUXSJJFPHVVCU-UHFFFAOYSA-N
XLogP17.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.58
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane?
The IUPAC name of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane (CID 90785640) is heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane.
What is the SMILES notation for heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane?
The canonical SMILES for heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane is C1CC2CCC3C4CCC5CCC6CCC(C7CCC1C2C73)C4C65.C1CCC2CC3C(CC2C1)C1CCC2C4CCC5CCC6CCC(C7CCC3C1C27)C4C56.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane?
The InChIKey is VRUXSJJFPHVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48.C24H36.C18H15P/c1-2-4-20-16-28-26-14-12-24-22-10-8-18-6-5-17-7-9-21(30(22)29(17)18)23-11-13-25(32(26)31(23)24)27(28)15-19(20)3-1;1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-32H,1-16H2;13-24H,1-12H2;1-15H.
What are the key properties of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane?
heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane has a molecular weight of 1019.58 g/mol, XLogP of 17.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane;nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane;triphenylphosphane is sourced from PubChem (CID 90785640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).