heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene

C25H32 — CID 15962783

IUPACheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C25H32/c1-5-16-6-2-14(1)20-13-21-15-3-7-17(8-4-15)23(21)25-19-11-9-18(10-12-19)24(25)22(16)20/h14-19H,1-13H2
InChIKeyTZBVQPWYARHDDT-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.74
Rot. Bonds

About heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene

heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (PubChem CID 15962783) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene.

Molecular Properties

Compound Nameheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
PubChem CID15962783
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Nameheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C25H32/c1-5-16-6-2-14(1)20-13-21-15-3-7-17(8-4-15)23(21)25-19-11-9-18(10-12-19)24(25)22(16)20/h14-19H,1-13H2
InChIKeyTZBVQPWYARHDDT-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The IUPAC name of heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (CID 15962783) is heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene.
What is the SMILES notation for heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The canonical SMILES for heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is C1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The InChIKey is TZBVQPWYARHDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-5-16-6-2-14(1)20-13-21-15-3-7-17(8-4-15)23(21)25-19-11-9-18(10-12-19)24(25)22(16)20/h14-19H,1-13H2.
What are the key properties of heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene has a molecular weight of 332.53 g/mol, XLogP of 6.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is sourced from PubChem (CID 15962783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).