2-(11-naphthalen-2-ylundecyl)naphthalene

C31H36 — CID 86035863

IUPAC2-(11-naphthalen-2-ylundecyl)naphthalene
SMILESc1ccc2cc(CCCCCCCCCCCc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C31H36/c1(2-4-6-8-14-26-20-22-28-16-10-12-18-30(28)24-26)3-5-7-9-15-27-21-23-29-17-11-13-19-31(29)25-27/h10-13,16-25H,1-9,14-15H2
InChIKeyHLTZGYJUZBOZMM-UHFFFAOYSA-N
MW408.63 g/mol
LogP9.29
Rot. Bonds12

About 2-(11-naphthalen-2-ylundecyl)naphthalene

2-(11-naphthalen-2-ylundecyl)naphthalene (PubChem CID 86035863) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is 2-(11-naphthalen-2-ylundecyl)naphthalene.

Molecular Properties

Compound Name2-(11-naphthalen-2-ylundecyl)naphthalene
PubChem CID86035863
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name2-(11-naphthalen-2-ylundecyl)naphthalene
SMILESc1ccc2cc(CCCCCCCCCCCc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C31H36/c1(2-4-6-8-14-26-20-22-28-16-10-12-18-30(28)24-26)3-5-7-9-15-27-21-23-29-17-11-13-19-31(29)25-27/h10-13,16-25H,1-9,14-15H2
InChIKeyHLTZGYJUZBOZMM-UHFFFAOYSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hexylnaphthalene
CID 142191207
2-dodec-11-enylnaphthalene
CID 101307470
2-octylanthracene
CID 23131226
10-naphthalen-2-yldecanoic acid
CID 21478009
2-(5,5-difluoropentyl)naphthalene
CID 68979271
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
2-pentylnaphthalene;prop-1-ene
CID 173098363

Frequently Asked Questions

What is the IUPAC name of 2-(11-naphthalen-2-ylundecyl)naphthalene?
The IUPAC name of 2-(11-naphthalen-2-ylundecyl)naphthalene (CID 86035863) is 2-(11-naphthalen-2-ylundecyl)naphthalene.
What is the SMILES notation for 2-(11-naphthalen-2-ylundecyl)naphthalene?
The canonical SMILES for 2-(11-naphthalen-2-ylundecyl)naphthalene is c1ccc2cc(CCCCCCCCCCCc3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 2-(11-naphthalen-2-ylundecyl)naphthalene?
The InChIKey is HLTZGYJUZBOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36/c1(2-4-6-8-14-26-20-22-28-16-10-12-18-30(28)24-26)3-5-7-9-15-27-21-23-29-17-11-13-19-31(29)25-27/h10-13,16-25H,1-9,14-15H2.
What are the key properties of 2-(11-naphthalen-2-ylundecyl)naphthalene?
2-(11-naphthalen-2-ylundecyl)naphthalene has a molecular weight of 408.63 g/mol, XLogP of 9.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-naphthalen-2-ylundecyl)naphthalene is sourced from PubChem (CID 86035863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).