7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene

C37H26 — CID 22979451

IUPAC7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene
SMILESCc1ccc2c3c(cccc13)C1C3c4cccc5cccc(c45)C3C3c4cccc5cccc(c45)C3C21
InChIInChI=1S/C37H26/c1-19-17-18-28-31-22(19)11-6-16-27(31)36-34-25-14-4-9-20-7-2-12-23(29(20)25)32(34)33-24-13-3-8-21-10-5-15-26(30(21)24)35(33)37(28)36/h2-18,32-37H,1H3
InChIKeyUDZAMIXSKRDBHC-UHFFFAOYSA-N
MW470.62 g/mol
LogP9.41
Rot. Bonds

About 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene

7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene (PubChem CID 22979451) has the molecular formula C37H26 and a molecular weight of 470.62 g/mol. Its IUPAC name is 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene.

Molecular Properties

Compound Name7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene
PubChem CID22979451
Molecular FormulaC37H26
Molecular Weight470.62 g/mol
Exact Mass470.20
IUPAC Name7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene
SMILESCc1ccc2c3c(cccc13)C1C3c4cccc5cccc(c45)C3C3c4cccc5cccc(c45)C3C21
InChIInChI=1S/C37H26/c1-19-17-18-28-31-22(19)11-6-16-27(31)36-34-25-14-4-9-20-7-2-12-23(29(20)25)32(34)33-24-13-3-8-21-10-5-15-26(30(21)24)35(33)37(28)36/h2-18,32-37H,1H3
InChIKeyUDZAMIXSKRDBHC-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene?
The IUPAC name of 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene (CID 22979451) is 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene.
What is the SMILES notation for 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene?
The canonical SMILES for 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene is Cc1ccc2c3c(cccc13)C1C3c4cccc5cccc(c45)C3C3c4cccc5cccc(c45)C3C21.
What is the InChIKey of 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene?
The InChIKey is UDZAMIXSKRDBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26/c1-19-17-18-28-31-22(19)11-6-16-27(31)36-34-25-14-4-9-20-7-2-12-23(29(20)25)32(34)33-24-13-3-8-21-10-5-15-26(30(21)24)35(33)37(28)36/h2-18,32-37H,1H3.
What are the key properties of 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene?
7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene has a molecular weight of 470.62 g/mol, XLogP of 9.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),4(36),5,7,9,11,15,17,19(35),20,22,26,28,30(34),31-pentadecaene is sourced from PubChem (CID 22979451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).