[11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane

C56H58OP2 — CID 59762659

IUPAC[11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane
SMILESCc1cccc(C)c1P(c1cc2c(COCc3ccccc3)cc1CCc1ccc(c(P(c3c(C)cccc3C)c3c(C)cccc3C)c1)CC2)c1c(C)cccc1C
InChIInChI=1S/C56H58OP2/c1-37-16-12-17-38(2)53(37)58(54-39(3)18-13-19-40(54)4)51-32-45-26-28-47(51)30-31-48-34-52(49(29-27-45)33-50(48)36-57-35-46-24-10-9-11-25-46)59(55-41(5)20-14-21-42(55)6)56-43(7)22-15-23-44(56)8/h9-26,28,32-34H,27,29-31,35-36H2,1-8H3
InChIKeyXHLIBIAHYVRRNI-UHFFFAOYSA-N
MW809.03 g/mol
LogP11.27
Rot. Bonds10

About [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane

[11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane (PubChem CID 59762659) has the molecular formula C56H58OP2 and a molecular weight of 809.03 g/mol. Its IUPAC name is [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane
PubChem CID59762659
Molecular FormulaC56H58OP2
Molecular Weight809.03 g/mol
Exact Mass808.40
IUPAC Name[11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane
SMILESCc1cccc(C)c1P(c1cc2c(COCc3ccccc3)cc1CCc1ccc(c(P(c3c(C)cccc3C)c3c(C)cccc3C)c1)CC2)c1c(C)cccc1C
InChIInChI=1S/C56H58OP2/c1-37-16-12-17-38(2)53(37)58(54-39(3)18-13-19-40(54)4)51-32-45-26-28-47(51)30-31-48-34-52(49(29-27-45)33-50(48)36-57-35-46-24-10-9-11-25-46)59(55-41(5)20-14-21-42(55)6)56-43(7)22-15-23-44(56)8/h9-26,28,32-34H,27,29-31,35-36H2,1-8H3
InChIKeyXHLIBIAHYVRRNI-UHFFFAOYSA-N
XLogP11.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 44344492
6-(Methoxymethyl)benzo(a)pyrene
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Bis(4-biphenylmethyl)ether
CID 173169
Di-(1-pyrenylmethyl)ether
CID 173315
1-(Methoxymethyl)pyrene
CID 612098
Anthracene, 9-(methoxymethyl)-
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Bis[1-(naphthalen-2-yl)ethyl] ether
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13-Oxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 12173967
Naphthalene, 1,1'-[oxybis(methylene)]bis-
CID 12423805
Bis-(2,4-dimethylbenzyl)-ether
CID 15254143

Frequently Asked Questions

What is the IUPAC name of [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane?
The IUPAC name of [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane (CID 59762659) is [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane.
What is the SMILES notation for [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane?
The canonical SMILES for [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane is Cc1cccc(C)c1P(c1cc2c(COCc3ccccc3)cc1CCc1ccc(c(P(c3c(C)cccc3C)c3c(C)cccc3C)c1)CC2)c1c(C)cccc1C.
What is the InChIKey of [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane?
The InChIKey is XHLIBIAHYVRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58OP2/c1-37-16-12-17-38(2)53(37)58(54-39(3)18-13-19-40(54)4)51-32-45-26-28-47(51)30-31-48-34-52(49(29-27-45)33-50(48)36-57-35-46-24-10-9-11-25-46)59(55-41(5)20-14-21-42(55)6)56-43(7)22-15-23-44(56)8/h9-26,28,32-34H,27,29-31,35-36H2,1-8H3.
What are the key properties of [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane?
[11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane has a molecular weight of 809.03 g/mol, XLogP of 11.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [11-bis(2,6-dimethylphenyl)phosphanyl-13-(phenylmethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-bis(2,6-dimethylphenyl)phosphane is sourced from PubChem (CID 59762659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).