10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C21H18 — CID 144660686

IUPAC10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESCC1=C2C=CC=CC1c1ccc(C)cc1-c1ccccc12
InChIInChI=1S/C21H18/c1-14-11-12-20-17-8-4-3-7-16(15(17)2)18-9-5-6-10-19(18)21(20)13-14/h3-13,17H,1-2H3
InChIKeyMXHXFQNBXKEPNH-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.66
Rot. Bonds

About 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 144660686) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID144660686
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESCC1=C2C=CC=CC1c1ccc(C)cc1-c1ccccc12
InChIInChI=1S/C21H18/c1-14-11-12-20-17-8-4-3-7-16(15(17)2)18-9-5-6-10-19(18)21(20)13-14/h3-13,17H,1-2H3
InChIKeyMXHXFQNBXKEPNH-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

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Related Compounds

butane;10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;ethane;2-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)benzene;propane;3,9,9-trimethylfluorene
CID 144660685
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6,9-dimethyl-1-phenyl-9H-fluorene
CID 162012318
2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
CID 91376879
9-[2-(9H-fluoren-9-yl)-4-methylphenyl]-9H-fluorene
CID 174712275
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CID 10730779

Frequently Asked Questions

What is the IUPAC name of 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 144660686) is 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is CC1=C2C=CC=CC1c1ccc(C)cc1-c1ccccc12.
What is the InChIKey of 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is MXHXFQNBXKEPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-14-11-12-20-17-8-4-3-7-16(15(17)2)18-9-5-6-10-19(18)21(20)13-14/h3-13,17H,1-2H3.
What are the key properties of 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 270.38 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 144660686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).