undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene

C42H26 — CID 159117646

IUPACundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
SMILESc1ccc2c3c(ccc2c1)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1c-3ccc2c1Cc1ccc3ccccc3c1-2
InChIInChI=1S/C42H26/c1-3-7-31-23(5-1)10-12-26-17-40-34(41(26)31)14-13-33-35-18-27-16-28-21-38-29(19-36(28)37(27)20-30(35)22-39(33)40)15-25-11-9-24-6-2-4-8-32(24)42(25)38/h1-14,18-21H,15-17,22H2
InChIKeyHCOWCWLZQSFPMT-UHFFFAOYSA-N
MW530.67 g/mol
LogP10.28
Rot. Bonds

About undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene

undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene (PubChem CID 159117646) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene.

Molecular Properties

Compound Nameundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
PubChem CID159117646
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Nameundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
SMILESc1ccc2c3c(ccc2c1)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1c-3ccc2c1Cc1ccc3ccccc3c1-2
InChIInChI=1S/C42H26/c1-3-7-31-23(5-1)10-12-26-17-40-34(41(26)31)14-13-33-35-18-27-16-28-21-38-29(19-36(28)37(27)20-30(35)22-39(33)40)15-25-11-9-24-6-2-4-8-32(24)42(25)38/h1-14,18-21H,15-17,22H2
InChIKeyHCOWCWLZQSFPMT-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[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene?
The IUPAC name of undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene (CID 159117646) is undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene.
What is the SMILES notation for undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene?
The canonical SMILES for undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene is c1ccc2c3c(ccc2c1)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1c-3ccc2c1Cc1ccc3ccccc3c1-2.
What is the InChIKey of undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene?
The InChIKey is HCOWCWLZQSFPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-3-7-31-23(5-1)10-12-26-17-40-34(41(26)31)14-13-33-35-18-27-16-28-21-38-29(19-36(28)37(27)20-30(35)22-39(33)40)15-25-11-9-24-6-2-4-8-32(24)42(25)38/h1-14,18-21H,15-17,22H2.
What are the key properties of undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene?
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-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[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene is sourced from PubChem (CID 159117646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).