3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene

C30H22 — CID 140722710

IUPAC3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
SMILESCc1ccc(C)c2c1=c1ccc3c4c(ccc=2c14)=c1c(C)c2ccccc2c(C)c1=3
InChIInChI=1S/C30H22/c1-15-9-10-16(2)26-22-12-14-24-28-18(4)20-8-6-5-7-19(20)17(3)27(28)23-13-11-21(25(15)26)29(22)30(23)24/h5-14H,1-4H3
InChIKeyMTTRYIHNACQZAN-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.00
Rot. Bonds

About 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene

3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene (PubChem CID 140722710) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
PubChem CID140722710
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
SMILESCc1ccc(C)c2c1=c1ccc3c4c(ccc=2c14)=c1c(C)c2ccccc2c(C)c1=3
InChIInChI=1S/C30H22/c1-15-9-10-16(2)26-22-12-14-24-28-18(4)20-8-6-5-7-19(20)17(3)27(28)23-13-11-21(25(15)26)29(22)30(23)24/h5-14H,1-4H3
InChIKeyMTTRYIHNACQZAN-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene with MolForge

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Related Compounds

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2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene
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CID 132965849
CID 132965849
1,4-dimethylanthracene-9,10-dicarbaldehyde;dihydrochloride
CID 23471446
1,2-dimethylnaphthalene;ethane
CID 90922397
9-ethenyl-10-methylphenanthrene
CID 123648763
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
ethane;1,2,5-trimethylnaphthalene
CID 142394206

Frequently Asked Questions

What is the IUPAC name of 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The IUPAC name of 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene (CID 140722710) is 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The canonical SMILES for 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene is Cc1ccc(C)c2c1=c1ccc3c4c(ccc=2c14)=c1c(C)c2ccccc2c(C)c1=3.
What is the InChIKey of 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The InChIKey is MTTRYIHNACQZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-15-9-10-16(2)26-22-12-14-24-28-18(4)20-8-6-5-7-19(20)17(3)27(28)23-13-11-21(25(15)26)29(22)30(23)24/h5-14H,1-4H3.
What are the key properties of 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene has a molecular weight of 382.51 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17,20-tetramethylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 140722710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).