hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene

C20H10 — CID 102250040

IUPAChexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene
SMILESc1c2cc3cc4cc5cc1c1cc2cc3cc4cc5c1
InChIInChI=1S/C20H10/c1-11-2-15-7-19-8-16-3-12(1)14-4-13(11)5-17(15)9-20(19)10-18(16)6-14/h1-10H
InChIKeyNFWCXZLFAJYZFU-UHFFFAOYSA-N
MW250.30 g/mol
LogP5.77
Rot. Bonds

About hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene

hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene (PubChem CID 102250040) has the molecular formula C20H10 and a molecular weight of 250.30 g/mol. Its IUPAC name is hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene.

Molecular Properties

Compound Namehexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene
PubChem CID102250040
Molecular FormulaC20H10
Molecular Weight250.30 g/mol
Exact Mass250.08
IUPAC Namehexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene
SMILESc1c2cc3cc4cc5cc1c1cc2cc3cc4cc5c1
InChIInChI=1S/C20H10/c1-11-2-15-7-19-8-16-3-12(1)14-4-13(11)5-17(15)9-20(19)10-18(16)6-14/h1-10H
InChIKeyNFWCXZLFAJYZFU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.30
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene?
The IUPAC name of hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene (CID 102250040) is hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene.
What is the SMILES notation for hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene?
The canonical SMILES for hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene is c1c2cc3cc4cc5cc1c1cc2cc3cc4cc5c1.
What is the InChIKey of hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene?
The InChIKey is NFWCXZLFAJYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10/c1-11-2-15-7-19-8-16-3-12(1)14-4-13(11)5-17(15)9-20(19)10-18(16)6-14/h1-10H.
What are the key properties of hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene?
hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene has a molecular weight of 250.30 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene is sourced from PubChem (CID 102250040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).