hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione

C24H18O2 — CID 170901544

IUPAChexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1c1c3c(ccc4c3c2CCC4)CCC1
InChIInChI=1S/C24H18O2/c25-23-15-7-1-2-8-16(15)24(26)22-18-10-4-6-14-12-11-13-5-3-9-17(21(22)23)19(13)20(14)18/h1-2,7-8,11-12H,3-6,9-10H2
InChIKeyNXTDVCOCCNHETG-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.59
Rot. Bonds

About hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione

hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione (PubChem CID 170901544) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione.

Molecular Properties

Compound Namehexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione
PubChem CID170901544
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Namehexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1c1c3c(ccc4c3c2CCC4)CCC1
InChIInChI=1S/C24H18O2/c25-23-15-7-1-2-8-16(15)24(26)22-18-10-4-6-14-12-11-13-5-3-9-17(21(22)23)19(13)20(14)18/h1-2,7-8,11-12H,3-6,9-10H2
InChIKeyNXTDVCOCCNHETG-UHFFFAOYSA-N
XLogP4.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione with MolForge

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Related Compounds

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CID 15883466
1,2-dihydrocyclobuta[a]anthracene-5,10-dione
CID 23511070
2,3-dihydro-1H-cyclopenta[b]fluoren-9-one
CID 132566207
1,4-dimethylanthracene-9,10-dione;1,2,3,4-tetrahydrochrysene
CID 174595165
1-amino-5-sulfanylanthracene-9,10-dione;1,2,3,4-tetrahydronaphthalene
CID 70615473
2,3,4,6-tetrahydro-1H-chrysen-5-one
CID 174299531
4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66647245
1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174898123
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621
pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
CID 12582397
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
2,6,7,8-tetrahydro-1H-as-indacen-3-one
CID 638795

Frequently Asked Questions

What is the IUPAC name of hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione?
The IUPAC name of hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione (CID 170901544) is hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione.
What is the SMILES notation for hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione?
The canonical SMILES for hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione is O=C1c2ccccc2C(=O)c2c1c1c3c(ccc4c3c2CCC4)CCC1.
What is the InChIKey of hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione?
The InChIKey is NXTDVCOCCNHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c25-23-15-7-1-2-8-16(15)24(26)22-18-10-4-6-14-12-11-13-5-3-9-17(21(22)23)19(13)20(14)18/h1-2,7-8,11-12H,3-6,9-10H2.
What are the key properties of hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione?
hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione has a molecular weight of 338.41 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1,4,6,8,11,16(24),17,19(23)-octaene-3,10-dione is sourced from PubChem (CID 170901544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).