nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene

C34H20 — CID 10993660

IUPACnonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene
SMILESc1ccc2c(c1)-c1ccccc1C13c4cccc5cccc(c45)C21c1cccc2cccc3c12
InChIInChI=1S/C34H20/c1-3-15-25-23(13-1)24-14-2-4-16-26(24)34-29-19-7-11-21-9-5-17-27(31(21)29)33(25,34)28-18-6-10-22-12-8-20-30(34)32(22)28/h1-20H
InChIKeyOELKNPQVFHADQZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP7.97
Rot. Bonds

About nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene

nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene (PubChem CID 10993660) has the molecular formula C34H20 and a molecular weight of 428.53 g/mol. Its IUPAC name is nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene.

Molecular Properties

Compound Namenonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene
PubChem CID10993660
Molecular FormulaC34H20
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Namenonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene
SMILESc1ccc2c(c1)-c1ccccc1C13c4cccc5cccc(c45)C21c1cccc2cccc3c12
InChIInChI=1S/C34H20/c1-3-15-25-23(13-1)24-14-2-4-16-26(24)34-29-19-7-11-21-9-5-17-27(31(21)29)33(25,34)28-18-6-10-22-12-8-20-30(34)32(22)28/h1-20H
InChIKeyOELKNPQVFHADQZ-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene?
The IUPAC name of nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene (CID 10993660) is nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene.
What is the SMILES notation for nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene?
The canonical SMILES for nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene is c1ccc2c(c1)-c1ccccc1C13c4cccc5cccc(c45)C21c1cccc2cccc3c12.
What is the InChIKey of nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene?
The InChIKey is OELKNPQVFHADQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20/c1-3-15-25-23(13-1)24-14-2-4-16-26(24)34-29-19-7-11-21-9-5-17-27(31(21)29)33(25,34)28-18-6-10-22-12-8-20-30(34)32(22)28/h1-20H.
What are the key properties of nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene?
nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene has a molecular weight of 428.53 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[12.9.9.115,19.124,28.01,14.02,7.08,13.023,34.032,33]tetratriaconta-2,4,6,8,10,12,15,17,19(34),20,22,24,26,28(33),29,31-hexadecaene is sourced from PubChem (CID 10993660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).