diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane

C52H57O4P — CID 15523207

IUPACdiphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
SMILESCCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cc(P(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cccc(c1OCCC)C2
InChIInChI=1S/C52H57O4P/c1-5-28-53-49-38-18-15-19-39(49)33-41-21-17-23-43(51(41)55-30-7-3)35-45-37-48(57(46-24-11-9-12-25-46)47-26-13-10-14-27-47)36-44(52(45)56-31-8-4)34-42-22-16-20-40(32-38)50(42)54-29-6-2/h9-27,36-37H,5-8,28-35H2,1-4H3
InChIKeyDSTCSEUWUIVWBI-UHFFFAOYSA-N
MW777.00 g/mol
LogP11.28
Rot. Bonds15

About diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane

diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane (PubChem CID 15523207) has the molecular formula C52H57O4P and a molecular weight of 777.00 g/mol. Its IUPAC name is diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane.

Molecular Properties

Compound Namediphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
PubChem CID15523207
Molecular FormulaC52H57O4P
Molecular Weight777.00 g/mol
Exact Mass776.40
IUPAC Namediphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
SMILESCCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cc(P(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cccc(c1OCCC)C2
InChIInChI=1S/C52H57O4P/c1-5-28-53-49-38-18-15-19-39(49)33-41-21-17-23-43(51(41)55-30-7-3)35-45-37-48(57(46-24-11-9-12-25-46)47-26-13-10-14-27-47)36-44(52(45)56-31-8-4)34-42-22-16-20-40(32-38)50(42)54-29-6-2/h9-27,36-37H,5-8,28-35H2,1-4H3
InChIKeyDSTCSEUWUIVWBI-UHFFFAOYSA-N
XLogP11.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.00
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane with MolForge

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Related Compounds

5,11-bis[(E)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 50923338
5-[(Z)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101411586
5,17-diisocyano-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
CID 101365936
(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methanol
CID 101010259
5,11-dibromo-25,26-bis(phenylmethoxy)-27,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 10963953
25,27-bis(2-anthracen-9-yloxyethoxy)-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102427600
25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carbonitrile
CID 132525726
diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)oxy]phosphane
CID 89382009
diphenyl-[6-[[5,11,17,23-tetratert-butyl-27-[(6-diphenylphosphanyl-2-pyridinyl)methoxy]-26,28-dipropoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]-2-pyridinyl]phosphane
CID 102240791
[17-[dimethyl(2-phenylethyl)silyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]-dimethyl-(2-phenylethyl)silane
CID 102174225
4-bromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 102600959
[17-(hydroxymethyl)-11-methyl-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]methanol
CID 101368812

Frequently Asked Questions

What is the IUPAC name of diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane?
The IUPAC name of diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane (CID 15523207) is diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane.
What is the SMILES notation for diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane?
The canonical SMILES for diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane is CCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cc(P(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cccc(c1OCCC)C2.
What is the InChIKey of diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane?
The InChIKey is DSTCSEUWUIVWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57O4P/c1-5-28-53-49-38-18-15-19-39(49)33-41-21-17-23-43(51(41)55-30-7-3)35-45-37-48(57(46-24-11-9-12-25-46)47-26-13-10-14-27-47)36-44(52(45)56-31-8-4)34-42-22-16-20-40(32-38)50(42)54-29-6-2/h9-27,36-37H,5-8,28-35H2,1-4H3.
What are the key properties of diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane?
diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane has a molecular weight of 777.00 g/mol, XLogP of 11.28, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane is sourced from PubChem (CID 15523207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).