(11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene

C34H32 — CID 12964929

IUPAC(11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene
SMILESCC1=CCC23Cc4ccccc4C2=C/C(=C2/C=C4c5ccccc5CC45CC=C(C)C2C5)C1C3
InChIInChI=1S/C34H32/c1-21-11-13-33-17-23-7-3-5-9-25(23)31(33)15-27(29(21)19-33)28-16-32-26-10-6-4-8-24(26)18-34(32)14-12-22(2)30(28)20-34/h3-12,15-16,29-30H,13-14,17-20H2,1-2H3/b28-27+
InChIKeyCPXWMCJZCGYDNY-BYYHNAKLSA-N
MW440.63 g/mol
LogP8.27
Rot. Bonds

About (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene

(11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene (PubChem CID 12964929) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene.

Molecular Properties

Compound Name(11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene
PubChem CID12964929
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name(11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene
SMILESCC1=CCC23Cc4ccccc4C2=C/C(=C2/C=C4c5ccccc5CC45CC=C(C)C2C5)C1C3
InChIInChI=1S/C34H32/c1-21-11-13-33-17-23-7-3-5-9-25(23)31(33)15-27(29(21)19-33)28-16-32-26-10-6-4-8-24(26)18-34(32)14-12-22(2)30(28)20-34/h3-12,15-16,29-30H,13-14,17-20H2,1-2H3/b28-27+
InChIKeyCPXWMCJZCGYDNY-BYYHNAKLSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene?
The IUPAC name of (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene (CID 12964929) is (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene.
What is the SMILES notation for (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene?
The canonical SMILES for (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene is CC1=CCC23Cc4ccccc4C2=C/C(=C2/C=C4c5ccccc5CC45CC=C(C)C2C5)C1C3.
What is the InChIKey of (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene?
The InChIKey is CPXWMCJZCGYDNY-BYYHNAKLSA-N. The full InChI is InChI=1S/C34H32/c1-21-11-13-33-17-23-7-3-5-9-25(23)31(33)15-27(29(21)19-33)28-16-32-26-10-6-4-8-24(26)18-34(32)14-12-22(2)30(28)20-34/h3-12,15-16,29-30H,13-14,17-20H2,1-2H3/b28-27+.
What are the key properties of (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene?
(11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene has a molecular weight of 440.63 g/mol, XLogP of 8.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-13-methyl-11-(13-methyl-11-tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaenylidene)tetracyclo[10.3.1.01,9.03,8]hexadeca-3,5,7,9,13-pentaene is sourced from PubChem (CID 12964929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).