10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C24H18 — CID 142255982

IUPAC10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCCc1c2ccccc2cc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C24H18/c1-2-18-20-10-6-4-8-17(20)15-24-21(18)13-14-22-19-9-5-3-7-16(19)11-12-23(22)24/h3-15H,2H2,1H3
InChIKeyRETMFEGNEGCMLC-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.86
Rot. Bonds1

About 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 142255982) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID142255982
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCCc1c2ccccc2cc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C24H18/c1-2-18-20-10-6-4-8-17(20)15-24-21(18)13-14-22-19-9-5-3-7-16(19)11-12-23(22)24/h3-15H,2H2,1H3
InChIKeyRETMFEGNEGCMLC-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 91740932
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CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
7-ethyl-4-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]anthracene
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CID 5889
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butane;chrysene;ethane
CID 143984277
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
chrysene;iron
CID 157379031
7-(2-methylpropyl)-4-[7-(2-methylpropyl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 123766662
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762

Frequently Asked Questions

What is the IUPAC name of 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 142255982) is 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is CCc1c2ccccc2cc2c1ccc1c3ccccc3ccc21.
What is the InChIKey of 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is RETMFEGNEGCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-2-18-20-10-6-4-8-17(20)15-24-21(18)13-14-22-19-9-5-3-7-16(19)11-12-23(22)24/h3-15H,2H2,1H3.
What are the key properties of 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 306.41 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 142255982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).