3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

C23H18 — CID 166496732

IUPAC3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
SMILESCc1ccc2cccc3c2c1-c1c(cc2ccccc2c1C)C3
InChIInChI=1S/C23H18/c1-14-10-11-16-7-5-8-18-13-19-12-17-6-3-4-9-20(17)15(2)22(19)21(14)23(16)18/h3-12H,13H2,1-2H3
InChIKeyZPVOBCJHKRTOFN-UHFFFAOYSA-N
MW294.40 g/mol
LogP6.18
Rot. Bonds

About 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (PubChem CID 166496732) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

Molecular Properties

Compound Name3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
PubChem CID166496732
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
SMILESCc1ccc2cccc3c2c1-c1c(cc2ccccc2c1C)C3
InChIInChI=1S/C23H18/c1-14-10-11-16-7-5-8-18-13-19-12-17-6-3-4-9-20(17)15(2)22(19)21(14)23(16)18/h3-12H,13H2,1-2H3
InChIKeyZPVOBCJHKRTOFN-UHFFFAOYSA-N
XLogP6.18
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 ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene with MolForge

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Related Compounds

2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
CID 168732430
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638
tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene
CID 13353685
1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
CID 144990400
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
CID 172999052
3-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
CID 142752542
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
5-methylacenaphthylene-1,2-dione;6-methyl-2H-acenaphthylen-1-one;4-methyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 158945821
9-methylanthracene;naphthalene
CID 142881908

Frequently Asked Questions

What is the IUPAC name of 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
The IUPAC name of 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (CID 166496732) is 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.
What is the SMILES notation for 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
The canonical SMILES for 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is Cc1ccc2cccc3c2c1-c1c(cc2ccccc2c1C)C3.
What is the InChIKey of 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
The InChIKey is ZPVOBCJHKRTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-14-10-11-16-7-5-8-18-13-19-12-17-6-3-4-9-20(17)15(2)22(19)21(14)23(16)18/h3-12H,13H2,1-2H3.
What are the key properties of 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?
3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene has a molecular weight of 294.40 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is sourced from PubChem (CID 166496732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).