6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene

C24H22 — CID 58161163

IUPAC6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
SMILESCC1=C(C)c2ccc3c(ccc4c5c(ccc43)C(C)=C(C)C5)c2C1
InChIInChI=1S/C24H22/c1-13-11-23-17(15(13)3)5-7-19-20-8-6-18-16(4)14(2)12-24(18)22(20)10-9-21(19)23/h5-10H,11-12H2,1-4H3
InChIKeyFMMMIEYXLCSQMP-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.69
Rot. Bonds

About 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene

6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene (PubChem CID 58161163) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
PubChem CID58161163
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
SMILESCC1=C(C)c2ccc3c(ccc4c5c(ccc43)C(C)=C(C)C5)c2C1
InChIInChI=1S/C24H22/c1-13-11-23-17(15(13)3)5-7-19-20-8-6-18-16(4)14(2)12-24(18)22(20)10-9-21(19)23/h5-10H,11-12H2,1-4H3
InChIKeyFMMMIEYXLCSQMP-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene with MolForge

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Related Compounds

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2,3,4,7-tetramethyl-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
The IUPAC name of 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene (CID 58161163) is 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene.
What is the SMILES notation for 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
The canonical SMILES for 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene is CC1=C(C)c2ccc3c(ccc4c5c(ccc43)C(C)=C(C)C5)c2C1.
What is the InChIKey of 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
The InChIKey is FMMMIEYXLCSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-13-11-23-17(15(13)3)5-7-19-20-8-6-18-16(4)14(2)12-24(18)22(20)10-9-21(19)23/h5-10H,11-12H2,1-4H3.
What are the key properties of 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene has a molecular weight of 310.44 g/mol, XLogP of 6.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,16,17-tetramethylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene is sourced from PubChem (CID 58161163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).