bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane

C64H84P2 — CID 59024494

IUPACbis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane
SMILESc1ccc(CP(C23CC4CC5C6CC(CC52)CC3C6C4)C23CC4CC5C6CC(CC52)CC3C6C4)c(CP(C2C3CC4C5CC6CC4C2C(C6)C5C3)C23CC4CC5C6CC(CC52)CC3C6C4)c1
InChIInChI=1S/C64H84P2/c1-2-4-38(29-66(63-26-35-13-48-42-7-32(19-56(48)63)20-57(63)49(42)14-35)64-27-36-15-50-43-8-33(21-58(50)64)22-59(64)51(43)16-36)37(3-1)28-65(61-39-23-44-40-5-30-9-52(44)60(61)53(10-30)45(40)24-39)62-25-34-11-46-41-6-31(17-54(46)62)18-55(62)47(41)12-34/h1-4,30-36,39-61H,5-29H2
InChIKeyOBFUNJMOUHPNAO-UHFFFAOYSA-N
MW915.32 g/mol
LogP15.35
Rot. Bonds8

About bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane

bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane (PubChem CID 59024494) has the molecular formula C64H84P2 and a molecular weight of 915.32 g/mol. Its IUPAC name is bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane.

Molecular Properties

Compound Namebis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane
PubChem CID59024494
Molecular FormulaC64H84P2
Molecular Weight915.32 g/mol
Exact Mass914.60
IUPAC Namebis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane
SMILESc1ccc(CP(C23CC4CC5C6CC(CC52)CC3C6C4)C23CC4CC5C6CC(CC52)CC3C6C4)c(CP(C2C3CC4C5CC6CC4C2C(C6)C5C3)C23CC4CC5C6CC(CC52)CC3C6C4)c1
InChIInChI=1S/C64H84P2/c1-2-4-38(29-66(63-26-35-13-48-42-7-32(19-56(48)63)20-57(63)49(42)14-35)64-27-36-15-50-43-8-33(21-58(50)64)22-59(64)51(43)16-36)37(3-1)28-65(61-39-23-44-40-5-30-9-52(44)60(61)53(10-30)45(40)24-39)62-25-34-11-46-41-6-31(17-54(46)62)18-55(62)47(41)12-34/h1-4,30-36,39-61H,5-29H2
InChIKeyOBFUNJMOUHPNAO-UHFFFAOYSA-N
XLogP15.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.32
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane 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

[2-[bis(5-hexacyclo[6.4.2.13,11.01,6.05,10.011,13]pentadecanyl)phosphanylmethyl]phenyl]methyl-bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphane
CID 118501425
bis(1-adamantyl)-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
CID 87284879
bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane
CID 66781139
bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
CID 87464174
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
(7S,11R)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-thiol
CID 102184392
1-fluoropentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 13046553
N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 176633242
(2R,7R,11S,12S)-1-(2-bromoethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 71623652
1-adamantyl-[(2-hydroxyphenyl)methyl]azanium
CID 7471163
2-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 176633364
(2-hydroxyphenyl)methyl-[[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]azanium
CID 7375754

Frequently Asked Questions

What is the IUPAC name of bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane?
The IUPAC name of bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane (CID 59024494) is bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane.
What is the SMILES notation for bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane?
The canonical SMILES for bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane is c1ccc(CP(C23CC4CC5C6CC(CC52)CC3C6C4)C23CC4CC5C6CC(CC52)CC3C6C4)c(CP(C2C3CC4C5CC6CC4C2C(C6)C5C3)C23CC4CC5C6CC(CC52)CC3C6C4)c1.
What is the InChIKey of bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane?
The InChIKey is OBFUNJMOUHPNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H84P2/c1-2-4-38(29-66(63-26-35-13-48-42-7-32(19-56(48)63)20-57(63)49(42)14-35)64-27-36-15-50-43-8-33(21-58(50)64)22-59(64)51(43)16-36)37(3-1)28-65(61-39-23-44-40-5-30-9-52(44)60(61)53(10-30)45(40)24-39)62-25-34-11-46-41-6-31(17-54(46)62)18-55(62)47(41)12-34/h1-4,30-36,39-61H,5-29H2.
What are the key properties of bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane?
bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane has a molecular weight of 915.32 g/mol, XLogP of 15.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane is sourced from PubChem (CID 59024494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).