[11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane

C43H40OP2 — CID 59762657

IUPAC[11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESCCOCc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C43H40OP2/c1-2-44-32-37-30-36-26-24-33-23-25-34(42(29-33)45(38-15-7-3-8-16-38)39-17-9-4-10-18-39)27-28-35(37)31-43(36)46(40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-23,25,29-31H,2,24,26-28,32H2,1H3
InChIKeyIHRUFYNTDJWTRQ-UHFFFAOYSA-N
MW634.74 g/mol
LogP7.62
Rot. Bonds9

About [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane

[11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (PubChem CID 59762657) has the molecular formula C43H40OP2 and a molecular weight of 634.74 g/mol. Its IUPAC name is [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane.

Molecular Properties

Compound Name[11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
PubChem CID59762657
Molecular FormulaC43H40OP2
Molecular Weight634.74 g/mol
Exact Mass634.26
IUPAC Name[11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESCCOCc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C43H40OP2/c1-2-44-32-37-30-36-26-24-33-23-25-34(42(29-33)45(38-15-7-3-8-16-38)39-17-9-4-10-18-39)27-28-35(37)31-43(36)46(40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-23,25,29-31H,2,24,26-28,32H2,1H3
InChIKeyIHRUFYNTDJWTRQ-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 57.62
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
CID 6453360
Bis(4-biphenylmethyl)ether
CID 173169
Di-(1-pyrenylmethyl)ether
CID 173315
1-(Methoxymethyl)pyrene
CID 612098
Anthracene, 9-(methoxymethyl)-
CID 9813273
Bis[1-(naphthalen-2-yl)ethyl] ether
CID 12025675
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-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The IUPAC name of [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (CID 59762657) is [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane.
What is the SMILES notation for [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The canonical SMILES for [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is CCOCc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The InChIKey is IHRUFYNTDJWTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40OP2/c1-2-44-32-37-30-36-26-24-33-23-25-34(42(29-33)45(38-15-7-3-8-16-38)39-17-9-4-10-18-39)27-28-35(37)31-43(36)46(40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-23,25,29-31H,2,24,26-28,32H2,1H3.
What are the key properties of [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
[11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane has a molecular weight of 634.74 g/mol, XLogP of 7.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [11-diphenylphosphanyl-13-(ethoxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is sourced from PubChem (CID 59762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).