22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene

C23H18 — CID 10957370

IUPAC22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
SMILESCC12C3c4ccccc4C1c1ccccc1C2c1ccccc13
InChIInChI=1S/C23H18/c1-23-20-14-8-2-3-9-15(14)21(23)18-12-6-7-13-19(18)22(23)17-11-5-4-10-16(17)20/h2-13,20-22H,1H3
InChIKeyKPXMIWJXDWJYGK-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.43
Rot. Bonds

About 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene

22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene (PubChem CID 10957370) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene.

Molecular Properties

Compound Name22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
PubChem CID10957370
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
SMILESCC12C3c4ccccc4C1c1ccccc1C2c1ccccc13
InChIInChI=1S/C23H18/c1-23-20-14-8-2-3-9-15(14)21(23)18-12-6-7-13-19(18)22(23)17-11-5-4-10-16(17)20/h2-13,20-22H,1H3
InChIKeyKPXMIWJXDWJYGK-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-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

2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
9,9'-Bifluorene
CID 137063
9H-fluorene, 9-phenyl-
CID 13091
1H-Indene, 2,3-dihydro-1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenyl-
CID 170585
9-Methyl-9-phenylfluorene
CID 4383936
1-Methyl-1-phenylindan
CID 99019
2-phenyl-1,2''-spirobi[1H-indene]
CID 22600576
1-Phenyl-3-(2-phenylpropyl)indan
CID 3019819
9-Benzylfluorene
CID 15296
9-(1,1-Dimethylethyl)-9H-fluorene
CID 28295
9,9'-Spirobi(9H-fluorene)
CID 135975
9-Cinnamylidene fluorene
CID 5378109

Frequently Asked Questions

What is the IUPAC name of 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
The IUPAC name of 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene (CID 10957370) is 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene.
What is the SMILES notation for 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
The canonical SMILES for 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene is CC12C3c4ccccc4C1c1ccccc1C2c1ccccc13.
What is the InChIKey of 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
The InChIKey is KPXMIWJXDWJYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-23-20-14-8-2-3-9-15(14)21(23)18-12-6-7-13-19(18)22(23)17-11-5-4-10-16(17)20/h2-13,20-22H,1H3.
What are the key properties of 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene has a molecular weight of 294.40 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene is sourced from PubChem (CID 10957370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).