11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol

C50H48O4 — CID 10628603

IUPAC11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol
SMILESC=Cc1ccc(-c2cc3c(O)c(c2)Cc2cccc(c2OCCC)Cc2cc(-c4ccc(C=C)cc4)cc(c2O)Cc2cccc(c2OCCC)C3)cc1
InChIInChI=1S/C50H48O4/c1-5-23-53-49-37-11-9-12-38(49)26-44-30-42(36-21-17-34(8-4)18-22-36)32-46(48(44)52)28-40-14-10-13-39(50(40)54-24-6-2)27-45-31-41(29-43(25-37)47(45)51)35-19-15-33(7-3)16-20-35/h7-22,29-32,51-52H,3-6,23-28H2,1-2H3
InChIKeyBVPSBVPKDCLYIZ-UHFFFAOYSA-N
MW712.93 g/mol
LogP11.97
Rot. Bonds10

About 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol

11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol (PubChem CID 10628603) has the molecular formula C50H48O4 and a molecular weight of 712.93 g/mol. Its IUPAC name is 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol.

Molecular Properties

Compound Name11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol
PubChem CID10628603
Molecular FormulaC50H48O4
Molecular Weight712.93 g/mol
Exact Mass712.36
IUPAC Name11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol
SMILESC=Cc1ccc(-c2cc3c(O)c(c2)Cc2cccc(c2OCCC)Cc2cc(-c4ccc(C=C)cc4)cc(c2O)Cc2cccc(c2OCCC)C3)cc1
InChIInChI=1S/C50H48O4/c1-5-23-53-49-37-11-9-12-38(49)26-44-30-42(36-21-17-34(8-4)18-22-36)32-46(48(44)52)28-40-14-10-13-39(50(40)54-24-6-2)27-45-31-41(29-43(25-37)47(45)51)35-19-15-33(7-3)16-20-35/h7-22,29-32,51-52H,3-6,23-28H2,1-2H3
InChIKeyBVPSBVPKDCLYIZ-UHFFFAOYSA-N
XLogP11.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.93
LogP ≤ 511.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol with MolForge

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Related Compounds

5,11-dibromo-26,28-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-25,27-diol
CID 11828505
[23-[25,27-dihydroxy-26-propoxy-28-(trifluoromethylsulfonyloxy)-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]-26,28-dihydroxy-27-propoxy-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] trifluoromethanesulfonate
CID 102524692
CID 136859571
CID 136859571
(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-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
(1R)-2,2,2-trifluoro-1-[25,26,27,28-tetrapropoxy-17-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-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]ethanol
CID 100922219
5,11-dibromo-17-(3,5-dimethylphenyl)-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 25214111
3-[[27-(2,3-dihydroxypropoxy)-26,28-dipropoxy-25-pentacyclo[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-dodecaenyl]oxy]propane-1,2-diol
CID 10628105
11,23-bis[(4-nitrophenyl)diazenyl]-26,28-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-25,27-diol
CID 135490986
(27-hydroxy-26,28-dipropoxy-25-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) 4-methylbenzenesulfonate
CID 101449058
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

Frequently Asked Questions

What is the IUPAC name of 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol?
The IUPAC name of 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol (CID 10628603) is 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol.
What is the SMILES notation for 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol?
The canonical SMILES for 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol is C=Cc1ccc(-c2cc3c(O)c(c2)Cc2cccc(c2OCCC)Cc2cc(-c4ccc(C=C)cc4)cc(c2O)Cc2cccc(c2OCCC)C3)cc1.
What is the InChIKey of 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol?
The InChIKey is BVPSBVPKDCLYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48O4/c1-5-23-53-49-37-11-9-12-38(49)26-44-30-42(36-21-17-34(8-4)18-22-36)32-46(48(44)52)28-40-14-10-13-39(50(40)54-24-6-2)27-45-31-41(29-43(25-37)47(45)51)35-19-15-33(7-3)16-20-35/h7-22,29-32,51-52H,3-6,23-28H2,1-2H3.
What are the key properties of 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol?
11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol has a molecular weight of 712.93 g/mol, XLogP of 11.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,23-bis(4-ethenylphenyl)-26,28-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-25,27-diol is sourced from PubChem (CID 10628603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).