20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene

C58H42O2 — CID 177438863

IUPAC20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene
SMILESCc1ccc(-c2cc3c(c4c2COc2cc5c(cc2-4)-c2c(c(-c4ccc(C)cc4)cc4c2-c2c(ccc6ccccc26)CC4)CO5)-c2c(ccc4ccccc24)CC3)cc1
InChIInChI=1S/C58H42O2/c1-33-11-15-37(16-12-33)45-27-41-25-23-39-21-19-35-7-3-5-9-43(35)53(39)55(41)57-47-29-48-52(30-51(47)59-31-49(45)57)60-32-50-46(38-17-13-34(2)14-18-38)28-42-26-24-40-22-20-36-8-4-6-10-44(36)54(40)56(42)58(48)50/h3-22,27-30H,23-26,31-32H2,1-2H3
InChIKeyRMGHKLJQRBAQSW-UHFFFAOYSA-N
MW770.97 g/mol
LogP14.59
Rot. Bonds2

About 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene

20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene (PubChem CID 177438863) has the molecular formula C58H42O2 and a molecular weight of 770.97 g/mol. Its IUPAC name is 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene.

Molecular Properties

Compound Name20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene
PubChem CID177438863
Molecular FormulaC58H42O2
Molecular Weight770.97 g/mol
Exact Mass770.32
IUPAC Name20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene
SMILESCc1ccc(-c2cc3c(c4c2COc2cc5c(cc2-4)-c2c(c(-c4ccc(C)cc4)cc4c2-c2c(ccc6ccccc26)CC4)CO5)-c2c(ccc4ccccc24)CC3)cc1
InChIInChI=1S/C58H42O2/c1-33-11-15-37(16-12-33)45-27-41-25-23-39-21-19-35-7-3-5-9-43(35)53(39)55(41)57-47-29-48-52(30-51(47)59-31-49(45)57)60-32-50-46(38-17-13-34(2)14-18-38)28-42-26-24-40-22-20-36-8-4-6-10-44(36)54(40)56(42)58(48)50/h3-22,27-30H,23-26,31-32H2,1-2H3
InChIKeyRMGHKLJQRBAQSW-UHFFFAOYSA-N
XLogP14.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.97
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene?
The IUPAC name of 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene (CID 177438863) is 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene.
What is the SMILES notation for 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene?
The canonical SMILES for 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene is Cc1ccc(-c2cc3c(c4c2COc2cc5c(cc2-4)-c2c(c(-c4ccc(C)cc4)cc4c2-c2c(ccc6ccccc26)CC4)CO5)-c2c(ccc4ccccc24)CC3)cc1.
What is the InChIKey of 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene?
The InChIKey is RMGHKLJQRBAQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42O2/c1-33-11-15-37(16-12-33)45-27-41-25-23-39-21-19-35-7-3-5-9-43(35)53(39)55(41)57-47-29-48-52(30-51(47)59-31-49(45)57)60-32-50-46(38-17-13-34(2)14-18-38)28-42-26-24-40-22-20-36-8-4-6-10-44(36)54(40)56(42)58(48)50/h3-22,27-30H,23-26,31-32H2,1-2H3.
What are the key properties of 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene?
20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene has a molecular weight of 770.97 g/mol, XLogP of 14.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20,30-bis(4-methylphenyl)-23,27-dioxaundecacyclo[24.20.0.03,24.04,21.05,18.06,15.07,12.029,46.032,45.035,44.038,43]hexatetraconta-1(26),2,4,6(15),7,9,11,13,18,20,24,29,31,35(44),36,38,40,42,45-nonadecaene is sourced from PubChem (CID 177438863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).