[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

C66H84P2 — CID 118501425

IUPAC[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
SMILESc1ccc(CP(C23CC4CC56CC7(C4)C5CC(CC62)CC73)C23CC4CC56CC7(C4)C5CC(CC62)CC73)c(CP(C23CC4CC5C6CC(CC52)CC3C6C4)C23CC4CC5C6CC(CC52)CC3C6C4)c1
InChIInChI=1S/C66H84P2/c1-2-4-42(41(3-1)29-67(63-25-37-7-45-43-5-33(11-49(45)63)12-50(63)46(43)8-37)64-26-38-9-47-44-6-34(13-51(47)64)14-52(64)48(44)10-38)30-68(65-27-39-21-59-31-60(22-39)53(59)15-35(17-55(59)65)18-56(60)65)66-28-40-23-61-32-62(24-40)54(61)16-36(19-57(61)66)20-58(62)66/h1-4,33-40,43-58H,5-32H2
InChIKeyTVYJTANZZCPQEP-UHFFFAOYSA-N
MW939.35 g/mol
LogP15.78
Rot. Bonds8

About [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

[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 (PubChem CID 118501425) has the molecular formula C66H84P2 and a molecular weight of 939.35 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID118501425
Molecular FormulaC66H84P2
Molecular Weight939.35 g/mol
Exact Mass938.60
IUPAC Name[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
SMILESc1ccc(CP(C23CC4CC56CC7(C4)C5CC(CC62)CC73)C23CC4CC56CC7(C4)C5CC(CC62)CC73)c(CP(C23CC4CC5C6CC(CC52)CC3C6C4)C23CC4CC5C6CC(CC52)CC3C6C4)c1
InChIInChI=1S/C66H84P2/c1-2-4-42(41(3-1)29-67(63-25-37-7-45-43-5-33(11-49(45)63)12-50(63)46(43)8-37)64-26-38-9-47-44-6-34(13-51(47)64)14-52(64)48(44)10-38)30-68(65-27-39-21-59-31-60(22-39)53(59)15-35(17-55(59)65)18-56(60)65)66-28-40-23-61-32-62(24-40)54(61)16-36(19-57(61)66)20-58(62)66/h1-4,33-40,43-58H,5-32H2
InChIKeyTVYJTANZZCPQEP-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.35
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is c1ccc(CP(C23CC4CC56CC7(C4)C5CC(CC62)CC73)C23CC4CC56CC7(C4)C5CC(CC62)CC73)c(CP(C23CC4CC5C6CC(CC52)CC3C6C4)C23CC4CC5C6CC(CC52)CC3C6C4)c1.
What is the InChIKey of [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?
The InChIKey is TVYJTANZZCPQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H84P2/c1-2-4-42(41(3-1)29-67(63-25-37-7-45-43-5-33(11-49(45)63)12-50(63)46(43)8-37)64-26-38-9-47-44-6-34(13-51(47)64)14-52(64)48(44)10-38)30-68(65-27-39-21-59-31-60(22-39)53(59)15-35(17-55(59)65)18-56(60)65)66-28-40-23-61-32-62(24-40)54(61)16-36(19-57(61)66)20-58(62)66/h1-4,33-40,43-58H,5-32H2.
What are the key properties of [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?
[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 has a molecular weight of 939.35 g/mol, XLogP of 15.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 118501425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).