6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol

C64H64O12 — CID 89137797

IUPAC6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol
SMILESCCOc1cc(O)c2cc1C(c1ccc(OC)cc1)c1cc(c(O)cc1OCC)C(c1ccc(OC)cc1)c1cc(c(OCC)cc1O)C(c1ccc(OC)cc1)c1cc(c(O)cc1OCC)C2c1ccc(OC)cc1
InChIInChI=1S/C64H64O12/c1-9-73-57-33-53(65)45-29-49(57)63(39-17-25-43(71-7)26-18-39)50-30-46(54(66)34-58(50)74-10-2)62(38-15-23-42(70-6)24-16-38)48-32-52(60(76-12-4)36-56(48)68)64(40-19-27-44(72-8)28-20-40)51-31-47(55(67)35-59(51)75-11-3)61(45)37-13-21-41(69-5)22-14-37/h13-36,61-68H,9-12H2,1-8H3
InChIKeyFBICETJNIZKPKJ-UHFFFAOYSA-N
MW1025.20 g/mol
LogP13.17
Rot. Bonds16

About 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol

6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol (PubChem CID 89137797) has the molecular formula C64H64O12 and a molecular weight of 1025.20 g/mol. Its IUPAC name is 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol.

Molecular Properties

Compound Name6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol
PubChem CID89137797
Molecular FormulaC64H64O12
Molecular Weight1025.20 g/mol
Exact Mass1024.44
IUPAC Name6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol
SMILESCCOc1cc(O)c2cc1C(c1ccc(OC)cc1)c1cc(c(O)cc1OCC)C(c1ccc(OC)cc1)c1cc(c(OCC)cc1O)C(c1ccc(OC)cc1)c1cc(c(O)cc1OCC)C2c1ccc(OC)cc1
InChIInChI=1S/C64H64O12/c1-9-73-57-33-53(65)45-29-49(57)63(39-17-25-43(71-7)26-18-39)50-30-46(54(66)34-58(50)74-10-2)62(38-15-23-42(70-6)24-16-38)48-32-52(60(76-12-4)36-56(48)68)64(40-19-27-44(72-8)28-20-40)51-31-47(55(67)35-59(51)75-11-3)61(45)37-13-21-41(69-5)22-14-37/h13-36,61-68H,9-12H2,1-8H3
InChIKeyFBICETJNIZKPKJ-UHFFFAOYSA-N
XLogP13.17
TPSA154.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.20
LogP ≤ 513.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol?
The IUPAC name of 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol (CID 89137797) is 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol.
What is the SMILES notation for 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol?
The canonical SMILES for 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol is CCOc1cc(O)c2cc1C(c1ccc(OC)cc1)c1cc(c(O)cc1OCC)C(c1ccc(OC)cc1)c1cc(c(OCC)cc1O)C(c1ccc(OC)cc1)c1cc(c(O)cc1OCC)C2c1ccc(OC)cc1.
What is the InChIKey of 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol?
The InChIKey is FBICETJNIZKPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64O12/c1-9-73-57-33-53(65)45-29-49(57)63(39-17-25-43(71-7)26-18-39)50-30-46(54(66)34-58(50)74-10-2)62(38-15-23-42(70-6)24-16-38)48-32-52(60(76-12-4)36-56(48)68)64(40-19-27-44(72-8)28-20-40)51-31-47(55(67)35-59(51)75-11-3)61(45)37-13-21-41(69-5)22-14-37/h13-36,61-68H,9-12H2,1-8H3.
What are the key properties of 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol?
6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol has a molecular weight of 1025.20 g/mol, XLogP of 13.17, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,18,22-tetraethoxy-2,8,14,20-tetrakis(4-methoxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-4,12,16,24-tetrol is sourced from PubChem (CID 89137797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).