undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene

C42H26 — CID 158563548

IUPACundecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
SMILESc1ccc2c3c(ccc2c1)-c1cc2c(cc1C3)-c1ccc3c(c1C2)Cc1c-3ccc2c1Cc1c-2ccc2ccccc12
InChIInChI=1S/C42H26/c1-3-7-27-23(5-1)10-12-33-35-18-26-20-38-34(36(26)17-25(35)19-37(27)33)16-15-31-32-14-13-30-29-11-9-24-6-2-4-8-28(24)39(29)21-41(30)42(32)22-40(31)38/h1-18H,19-22H2
InChIKeyPOSLGNGVDQZZLA-UHFFFAOYSA-N
MW530.67 g/mol
LogP10.28
Rot. Bonds

About undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene

undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene (PubChem CID 158563548) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene.

Molecular Properties

Compound Nameundecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
PubChem CID158563548
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Nameundecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
SMILESc1ccc2c3c(ccc2c1)-c1cc2c(cc1C3)-c1ccc3c(c1C2)Cc1c-3ccc2c1Cc1c-2ccc2ccccc12
InChIInChI=1S/C42H26/c1-3-7-27-23(5-1)10-12-33-35-18-26-20-38-34(36(26)17-25(35)19-37(27)33)16-15-31-32-14-13-30-29-11-9-24-6-2-4-8-28(24)39(29)21-41(30)42(32)22-40(31)38/h1-18H,19-22H2
InChIKeyPOSLGNGVDQZZLA-UHFFFAOYSA-N
XLogP10.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene?
The IUPAC name of undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene (CID 158563548) is undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene.
What is the SMILES notation for undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene?
The canonical SMILES for undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene is c1ccc2c3c(ccc2c1)-c1cc2c(cc1C3)-c1ccc3c(c1C2)Cc1c-3ccc2c1Cc1c-2ccc2ccccc12.
What is the InChIKey of undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene?
The InChIKey is POSLGNGVDQZZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-3-7-27-23(5-1)10-12-33-35-18-26-20-38-34(36(26)17-25(35)19-37(27)33)16-15-31-32-14-13-30-29-11-9-24-6-2-4-8-28(24)39(29)21-41(30)42(32)22-40(31)38/h1-18H,19-22H2.
What are the key properties of undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene?
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene has a molecular weight of 530.67 g/mol, XLogP of 10.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene is sourced from PubChem (CID 158563548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).