1-(2-anthracen-1-yldecan-2-yl)anthracene

C38H38 — CID 173387096

IUPAC1-(2-anthracen-1-yldecan-2-yl)anthracene
SMILESCCCCCCCCC(C)(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C38H38/c1-3-4-5-6-7-12-23-38(2,36-21-13-19-32-24-28-15-8-10-17-30(28)26-34(32)36)37-22-14-20-33-25-29-16-9-11-18-31(29)27-35(33)37/h8-11,13-22,24-27H,3-7,12,23H2,1-2H3
InChIKeyYKOXMNLLSDENJX-UHFFFAOYSA-N
MW494.72 g/mol
LogP11.36
Rot. Bonds9

About 1-(2-anthracen-1-yldecan-2-yl)anthracene

1-(2-anthracen-1-yldecan-2-yl)anthracene (PubChem CID 173387096) has the molecular formula C38H38 and a molecular weight of 494.72 g/mol. Its IUPAC name is 1-(2-anthracen-1-yldecan-2-yl)anthracene.

Molecular Properties

Compound Name1-(2-anthracen-1-yldecan-2-yl)anthracene
PubChem CID173387096
Molecular FormulaC38H38
Molecular Weight494.72 g/mol
Exact Mass494.30
IUPAC Name1-(2-anthracen-1-yldecan-2-yl)anthracene
SMILESCCCCCCCCC(C)(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C38H38/c1-3-4-5-6-7-12-23-38(2,36-21-13-19-32-24-28-15-8-10-17-30(28)26-34(32)36)37-22-14-20-33-25-29-16-9-11-18-31(29)27-35(33)37/h8-11,13-22,24-27H,3-7,12,23H2,1-2H3
InChIKeyYKOXMNLLSDENJX-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22402788
1-dodecylpentacene
CID 141370235
anthracene;1,1,1-trimethoxyhexadecane
CID 161067972
3-anthracen-1-ylpentan-3-ylphosphane
CID 175417389
lithium;1-hexylanthracene;hydride
CID 174350658
1-nonoxyanthracene
CID 86193569
1-tridecan-7-ylanthracene
CID 150514951
1-anthracen-1-yl-1-phenylethanol
CID 2793943
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
anthracene;hexan-1-ol
CID 174457209
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793

Frequently Asked Questions

What is the IUPAC name of 1-(2-anthracen-1-yldecan-2-yl)anthracene?
The IUPAC name of 1-(2-anthracen-1-yldecan-2-yl)anthracene (CID 173387096) is 1-(2-anthracen-1-yldecan-2-yl)anthracene.
What is the SMILES notation for 1-(2-anthracen-1-yldecan-2-yl)anthracene?
The canonical SMILES for 1-(2-anthracen-1-yldecan-2-yl)anthracene is CCCCCCCCC(C)(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(2-anthracen-1-yldecan-2-yl)anthracene?
The InChIKey is YKOXMNLLSDENJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38/c1-3-4-5-6-7-12-23-38(2,36-21-13-19-32-24-28-15-8-10-17-30(28)26-34(32)36)37-22-14-20-33-25-29-16-9-11-18-31(29)27-35(33)37/h8-11,13-22,24-27H,3-7,12,23H2,1-2H3.
What are the key properties of 1-(2-anthracen-1-yldecan-2-yl)anthracene?
1-(2-anthracen-1-yldecan-2-yl)anthracene has a molecular weight of 494.72 g/mol, XLogP of 11.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anthracen-1-yldecan-2-yl)anthracene is sourced from PubChem (CID 173387096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).