undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene

C41H26 — CID 132604363

IUPACundecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)C1c2cc4c(cc2C3c2cc3c(cc21)-c1ccccc1C3)Cc1ccccc1-4
InChIInChI=1S/C41H26/c1-4-10-28-22(7-1)13-25-16-34-37(19-31(25)28)41-38-20-32-26(14-23-8-2-5-11-29(23)32)17-35(38)40(34)36-18-27-15-24-9-3-6-12-30(24)33(27)21-39(36)41/h1-12,16-21,40-41H,13-15H2
InChIKeySXEJGMHHKXKZTE-UHFFFAOYSA-N
MW518.66 g/mol
LogP9.39
Rot. Bonds

About undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene

undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene (PubChem CID 132604363) has the molecular formula C41H26 and a molecular weight of 518.66 g/mol. Its IUPAC name is undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene.

Molecular Properties

Compound Nameundecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene
PubChem CID132604363
Molecular FormulaC41H26
Molecular Weight518.66 g/mol
Exact Mass518.20
IUPAC Nameundecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)C1c2cc4c(cc2C3c2cc3c(cc21)-c1ccccc1C3)Cc1ccccc1-4
InChIInChI=1S/C41H26/c1-4-10-28-22(7-1)13-25-16-34-37(19-31(25)28)41-38-20-32-26(14-23-8-2-5-11-29(23)32)17-35(38)40(34)36-18-27-15-24-9-3-6-12-30(24)33(27)21-39(36)41/h1-12,16-21,40-41H,13-15H2
InChIKeySXEJGMHHKXKZTE-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene?
The IUPAC name of undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene (CID 132604363) is undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene.
What is the SMILES notation for undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene?
The canonical SMILES for undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)C1c2cc4c(cc2C3c2cc3c(cc21)-c1ccccc1C3)Cc1ccccc1-4.
What is the InChIKey of undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene?
The InChIKey is SXEJGMHHKXKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26/c1-4-10-28-22(7-1)13-25-16-34-37(19-31(25)28)41-38-20-32-26(14-23-8-2-5-11-29(23)32)17-35(38)40(34)36-18-27-15-24-9-3-6-12-30(24)33(27)21-39(36)41/h1-12,16-21,40-41H,13-15H2.
What are the key properties of undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene?
undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene has a molecular weight of 518.66 g/mol, XLogP of 9.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene is sourced from PubChem (CID 132604363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).