heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene

C28H22 — CID 102090175

IUPACheptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene
SMILESC1=CC2C3=C(Cc4ccccc4C3)C1C1=C2Cc2cc3ccccc3cc2C1
InChIInChI=1S/C28H22/c1-2-6-18-12-22-16-28-24-10-9-23(27(28)15-21(22)11-17(18)5-1)25-13-19-7-3-4-8-20(19)14-26(24)25/h1-12,23-24H,13-16H2
InChIKeyWBUPHRLJXUDDCU-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.15
Rot. Bonds

About heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene

heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene (PubChem CID 102090175) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene.

Molecular Properties

Compound Nameheptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene
PubChem CID102090175
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Nameheptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene
SMILESC1=CC2C3=C(Cc4ccccc4C3)C1C1=C2Cc2cc3ccccc3cc2C1
InChIInChI=1S/C28H22/c1-2-6-18-12-22-16-28-24-10-9-23(27(28)15-21(22)11-17(18)5-1)25-13-19-7-3-4-8-20(19)14-26(24)25/h1-12,23-24H,13-16H2
InChIKeyWBUPHRLJXUDDCU-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene with MolForge

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Related Compounds

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CID 158501060
1,4-dihydroanthracene
CID 10142816
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
3,12-dithiatetracyclo[12.8.0.05,10.016,21]docosa-1(22),5,7,9,14,16,18,20-octaene
CID 139055524
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
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CID 91124939
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6,13-dibromo-5,14-dihydropentacene
CID 102219532
1,3-dihydrobenzo[f][2]benzofuran
CID 15555103

Frequently Asked Questions

What is the IUPAC name of heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene?
The IUPAC name of heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene (CID 102090175) is heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene.
What is the SMILES notation for heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene?
The canonical SMILES for heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene is C1=CC2C3=C(Cc4ccccc4C3)C1C1=C2Cc2cc3ccccc3cc2C1.
What is the InChIKey of heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene?
The InChIKey is WBUPHRLJXUDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-2-6-18-12-22-16-28-24-10-9-23(27(28)15-21(22)11-17(18)5-1)25-13-19-7-3-4-8-20(19)14-26(24)25/h1-12,23-24H,13-16H2.
What are the key properties of heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene?
heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene has a molecular weight of 358.48 g/mol, XLogP of 6.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[14.10.2.02,15.04,13.06,11.017,26.019,24]octacosa-2(15),4,6,8,10,12,17(26),19,21,23,27-undecaene is sourced from PubChem (CID 102090175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).