ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene

C26H28 — CID 91276144

IUPACethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene
SMILESCC.CC.c1ccc2c3c4c(c5ccccc5c5c4c(c2c1)CC5)CC3
InChIInChI=1S/C22H16.2C2H6/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18(14)22(20)21(17)19;2*1-2/h1-8H,9-12H2;2*1-2H3
InChIKeyCFLYOMJSTIFKMA-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.40
Rot. Bonds

About ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene

ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene (PubChem CID 91276144) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene.

Molecular Properties

Compound Nameethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene
PubChem CID91276144
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Nameethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene
SMILESCC.CC.c1ccc2c3c4c(c5ccccc5c5c4c(c2c1)CC5)CC3
InChIInChI=1S/C22H16.2C2H6/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18(14)22(20)21(17)19;2*1-2/h1-8H,9-12H2;2*1-2H3
InChIKeyCFLYOMJSTIFKMA-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene 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

tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene
CID 163701777
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
7-methylheptacyclo[12.6.6.64,11.05,10.015,20.021,26.027,32]dotriaconta-1(20),4,6,8,10,14,16,18,21,23,25,27,29,31-tetradecaene
CID 20825162
tetracyclo[6.6.5.02,7.09,14]nonadeca-1,3,5,7,9,11,13-heptaene
CID 14980237
tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene
CID 10015487
3,5-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
CID 3559832
argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
CID 165047463
17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
CID 12566036
2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole
CID 21493546
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499
2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene
CID 20700482
4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
CID 163649392

Frequently Asked Questions

What is the IUPAC name of ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene?
The IUPAC name of ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene (CID 91276144) is ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene.
What is the SMILES notation for ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene?
The canonical SMILES for ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene is CC.CC.c1ccc2c3c4c(c5ccccc5c5c4c(c2c1)CC5)CC3.
What is the InChIKey of ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene?
The InChIKey is CFLYOMJSTIFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16.2C2H6/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18(14)22(20)21(17)19;2*1-2/h1-8H,9-12H2;2*1-2H3.
What are the key properties of ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene?
ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene has a molecular weight of 340.51 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene is sourced from PubChem (CID 91276144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).