1,4-di(cyclooctatetraenyl)naphthalene

C26H20 — CID 90786287

IUPAC1,4-di(cyclooctatetraenyl)naphthalene
SMILESC1=CC=CC(c2ccc(C3=CC=CC=CC=C3)c3ccccc23)=CC=C1
InChIInChI=1S/C26H20/c1-3-7-13-21(14-8-4-1)23-19-20-24(26-18-12-11-17-25(23)26)22-15-9-5-2-6-10-16-22/h1-20H
InChIKeyRKEFBVRMPLROEW-UHFFFAOYSA-N
MW332.45 g/mol
LogP6.97
Rot. Bonds2

About 1,4-di(cyclooctatetraenyl)naphthalene

1,4-di(cyclooctatetraenyl)naphthalene (PubChem CID 90786287) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1,4-di(cyclooctatetraenyl)naphthalene.

Molecular Properties

Compound Name1,4-di(cyclooctatetraenyl)naphthalene
PubChem CID90786287
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name1,4-di(cyclooctatetraenyl)naphthalene
SMILESC1=CC=CC(c2ccc(C3=CC=CC=CC=C3)c3ccccc23)=CC=C1
InChIInChI=1S/C26H20/c1-3-7-13-21(14-8-4-1)23-19-20-24(26-18-12-11-17-25(23)26)22-15-9-5-2-6-10-16-22/h1-20H
InChIKeyRKEFBVRMPLROEW-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene
CID 123639950
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CID 162226529
1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene
CID 143901201
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CID 174304874
20-cyclohepta-2,4,6-trien-1-ylidenenonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene
CID 102259235
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CID 123254733
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CID 86042442
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203
9-[(5Z,7E,9E)-2-phenanthren-9-yl-4a,10a-dihydrobenzo[8]annulen-7-yl]phenanthrene
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Frequently Asked Questions

What is the IUPAC name of 1,4-di(cyclooctatetraenyl)naphthalene?
The IUPAC name of 1,4-di(cyclooctatetraenyl)naphthalene (CID 90786287) is 1,4-di(cyclooctatetraenyl)naphthalene.
What is the SMILES notation for 1,4-di(cyclooctatetraenyl)naphthalene?
The canonical SMILES for 1,4-di(cyclooctatetraenyl)naphthalene is C1=CC=CC(c2ccc(C3=CC=CC=CC=C3)c3ccccc23)=CC=C1.
What is the InChIKey of 1,4-di(cyclooctatetraenyl)naphthalene?
The InChIKey is RKEFBVRMPLROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-3-7-13-21(14-8-4-1)23-19-20-24(26-18-12-11-17-25(23)26)22-15-9-5-2-6-10-16-22/h1-20H.
What are the key properties of 1,4-di(cyclooctatetraenyl)naphthalene?
1,4-di(cyclooctatetraenyl)naphthalene has a molecular weight of 332.45 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(cyclooctatetraenyl)naphthalene is sourced from PubChem (CID 90786287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).