(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C26H18 — CID 57404142

IUPAC(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESC1=C\c2ccccc2/C(c2cccc3ccccc23)=C\c2ccccc2/1
InChIInChI=1S/C26H18/c1-2-11-22-18-26(25-15-7-12-20-9-3-5-13-23(20)25)24-14-6-4-10-21(24)17-16-19(22)8-1/h1-18H/b17-16-,19-16-,21-17-,22-18-,26-18+,26-24+
InChIKeyHARWKGQILFMEDS-DWDXDSIBSA-N
MW330.43 g/mol
LogP6.91
Rot. Bonds1

About (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene

(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 57404142) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID57404142
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESC1=C\c2ccccc2/C(c2cccc3ccccc23)=C\c2ccccc2/1
InChIInChI=1S/C26H18/c1-2-11-22-18-26(25-15-7-12-20-9-3-5-13-23(20)25)24-14-6-4-10-21(24)17-16-19(22)8-1/h1-18H/b17-16-,19-16-,21-17-,22-18-,26-18+,26-24+
InChIKeyHARWKGQILFMEDS-DWDXDSIBSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 175282704
CID 175282704
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CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
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CID 10983707
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2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
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CID 173189960

Frequently Asked Questions

What is the IUPAC name of (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 57404142) is (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene is C1=C\c2ccccc2/C(c2cccc3ccccc23)=C\c2ccccc2/1.
What is the InChIKey of (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is HARWKGQILFMEDS-DWDXDSIBSA-N. The full InChI is InChI=1S/C26H18/c1-2-11-22-18-26(25-15-7-12-20-9-3-5-13-23(20)25)24-14-6-4-10-21(24)17-16-19(22)8-1/h1-18H/b17-16-,19-16-,21-17-,22-18-,26-18+,26-24+.
What are the key properties of (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
(2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 330.43 g/mol, XLogP of 6.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,10Z)-2-naphthalen-1-yltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 57404142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).