pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene

C28H40 — CID 15164275

IUPACpentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
SMILESC1CCC2=C3CCCCCC4=C(CC1)C1=C4CCCCCC3=C2CCCCC1
InChIInChI=1S/C28H40/c1-5-13-21-23-15-7-2-8-16-24-22(14-6-1)26-18-10-3-9-17-25(21)27(23)19-11-4-12-20-28(24)26/h1-20H2
InChIKeyKNAPLCHDLSUCHW-UHFFFAOYSA-N
MW376.63 g/mol
LogP9.04
Rot. Bonds

About pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene

pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene (PubChem CID 15164275) has the molecular formula C28H40 and a molecular weight of 376.63 g/mol. Its IUPAC name is pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene.

Molecular Properties

Compound Namepentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
PubChem CID15164275
Molecular FormulaC28H40
Molecular Weight376.63 g/mol
Exact Mass376.31
IUPAC Namepentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
SMILESC1CCC2=C3CCCCCC4=C(CC1)C1=C4CCCCCC3=C2CCCCC1
InChIInChI=1S/C28H40/c1-5-13-21-23-15-7-2-8-16-24-22(14-6-1)26-18-10-3-9-17-25(21)27(23)19-11-4-12-20-28(24)26/h1-20H2
InChIKeyKNAPLCHDLSUCHW-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
2-(2-aminocycloocten-1-yl)cycloocten-1-amine
CID 151733576
7,16,27,36-tetrazaheptacyclo[25.13.3.32,16.37,21.322,36.03,40.020,23]dopentaconta-1(40),2,20,22-tetraene
CID 101021566
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene
CID 59165315
(1Z)-1,2-diphenylcyclododecene
CID 5378897
cycloundecanimine
CID 123912975
1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one
CID 11031398
manganese;2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 174386744
(1Z)-cyclodecene-1,2-diamine
CID 89062858
cyclotridecane-1,2-dione
CID 67428267
cycloheptylidenezirconium(2+)
CID 87101700

Frequently Asked Questions

What is the IUPAC name of pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene?
The IUPAC name of pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene (CID 15164275) is pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene.
What is the SMILES notation for pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene?
The canonical SMILES for pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene is C1CCC2=C3CCCCCC4=C(CC1)C1=C4CCCCCC3=C2CCCCC1.
What is the InChIKey of pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene?
The InChIKey is KNAPLCHDLSUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40/c1-5-13-21-23-15-7-2-8-16-24-22(14-6-1)26-18-10-3-9-17-25(21)27(23)19-11-4-12-20-28(24)26/h1-20H2.
What are the key properties of pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene?
pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene has a molecular weight of 376.63 g/mol, XLogP of 9.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene is sourced from PubChem (CID 15164275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).