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

C23H14 — CID 91446197

IUPAChexacyclo[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
SMILESC1=C2C=c3cc4cc5ccccc5cc4c4ccc(c2c34)=CC1
InChIInChI=1S/C23H14/c1-2-5-16-13-21-18(10-15(16)4-1)12-19-11-17-7-3-6-14-8-9-20(21)23(19)22(14)17/h1-2,4-13H,3H2
InChIKeySBLBYWFIQMANEO-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.51
Rot. Bonds

About 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

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 (PubChem CID 91446197) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehexacyclo[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
PubChem CID91446197
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Namehexacyclo[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
SMILESC1=C2C=c3cc4cc5ccccc5cc4c4ccc(c2c34)=CC1
InChIInChI=1S/C23H14/c1-2-5-16-13-21-18(10-15(16)4-1)12-19-11-17-7-3-6-14-8-9-20(21)23(19)22(14)17/h1-2,4-13H,3H2
InChIKeySBLBYWFIQMANEO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.51
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

Indeno(1,2,3-cd)fluoranthene
CID 67450
Aceplaidylene
CID 136018
Cyclopenta(cd)fluoranthene
CID 57375439
1,2,3,4-Tetrahydrofluoranthene
CID 19748605
1H-Cyclopenta(a)phenanthrene
CID 6451370
3,4,9,10-Tetrahydrodicyclopenta[cd,lm]perylene
CID 133064149
1,2,6,7-Tetrahydropyrene
CID 18977681
Cyclohepta[def]fluorene
CID 20221836
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
2H-cyclopenta[b]naphthalene
CID 57983839
Hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene
CID 91240636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C2C=c3cc4cc5ccccc5cc4c4ccc(c2c34)=CC1.
What is the InChIKey of 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?
The InChIKey is SBLBYWFIQMANEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-2-5-16-13-21-18(10-15(16)4-1)12-19-11-17-7-3-6-14-8-9-20(21)23(19)22(14)17/h1-2,4-13H,3H2.
What are the key properties of 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?
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 has a molecular weight of 290.37 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91446197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).