heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene

C24H16 — CID 133064149

IUPACheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene
SMILESC1=Cc2ccc3c4c5c6c(ccc5c5c3c2=C1CC5)C=CC=6CC4
InChIInChI=1S/C24H16/c1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18/h1-5,8-9,12H,6-7,10-11H2
InChIKeyOSRWZBPLFGLVMJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.24
Rot. Bonds

About heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene

heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene (PubChem CID 133064149) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene.

Molecular Properties

Compound Nameheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene
PubChem CID133064149
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Nameheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene
SMILESC1=Cc2ccc3c4c5c6c(ccc5c5c3c2=C1CC5)C=CC=6CC4
InChIInChI=1S/C24H16/c1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18/h1-5,8-9,12H,6-7,10-11H2
InChIKeyOSRWZBPLFGLVMJ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene with MolForge

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Related Compounds

Indeno(1,2,3-cd)fluoranthene
CID 67450
1,2,3,4-Tetrahydrofluoranthene
CID 19748605
3,6,9,10,13,16,19,20-Octamethylhexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 11079637
Hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 21087825
Fluoreno[3,2-b]fluorene
CID 21088003
9.10-Hexahydro-pyren
CID 21960534
Fullerene C70 (>97%)
CID 59185143
Tetraoctylindenofluorene
CID 87959151
Hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene
CID 91303515
Hexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1(23),2,4,6,8,10,12,14,16,19,21-undecaene
CID 91446197
Indeno[2,1-c]fluorene
CID 101875978
Hexahydrofluoren
CID 129628750

Frequently Asked Questions

What is the IUPAC name of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene?
The IUPAC name of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene (CID 133064149) is heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene.
What is the SMILES notation for heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene?
The canonical SMILES for heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene is C1=Cc2ccc3c4c5c6c(ccc5c5c3c2=C1CC5)C=CC=6CC4.
What is the InChIKey of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene?
The InChIKey is OSRWZBPLFGLVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18/h1-5,8-9,12H,6-7,10-11H2.
What are the key properties of heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene?
heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene has a molecular weight of 304.39 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2,4,6,8,10,12(21),15(22),16,18-decaene is sourced from PubChem (CID 133064149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).