2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene

C38H42 — CID 175592722

IUPAC2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene
SMILESC=C(c1ccc2cc(CCCCCC)ccc2c1)c1ccc2cc3cc(CCCCCC)ccc3cc2c1
InChIInChI=1S/C38H42/c1-4-6-8-10-12-29-14-16-34-24-31(18-20-33(34)22-29)28(3)32-19-21-36-26-37-23-30(13-11-9-7-5-2)15-17-35(37)27-38(36)25-32/h14-27H,3-13H2,1-2H3
InChIKeyRFZRONOHMFFSNH-UHFFFAOYSA-N
MW498.75 g/mol
LogP11.45
Rot. Bonds12

About 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene

2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene (PubChem CID 175592722) has the molecular formula C38H42 and a molecular weight of 498.75 g/mol. Its IUPAC name is 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene.

Molecular Properties

Compound Name2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene
PubChem CID175592722
Molecular FormulaC38H42
Molecular Weight498.75 g/mol
Exact Mass498.33
IUPAC Name2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene
SMILESC=C(c1ccc2cc(CCCCCC)ccc2c1)c1ccc2cc3cc(CCCCCC)ccc3cc2c1
InChIInChI=1S/C38H42/c1-4-6-8-10-12-29-14-16-34-24-31(18-20-33(34)22-29)28(3)32-19-21-36-26-37-23-30(13-11-9-7-5-2)15-17-35(37)27-38(36)25-32/h14-27H,3-13H2,1-2H3
InChIKeyRFZRONOHMFFSNH-UHFFFAOYSA-N
XLogP11.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.75
LogP ≤ 511.45
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

2-octylanthracene
CID 23131226
7-octylanthracen-2-amine
CID 87887056
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
ethane;2-hexylnaphthalene
CID 142191207
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
2-butyl-6-propylnaphthalene;propane
CID 123540121
6,18-dihexyl-12-selenapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140761132
2-butyl-6-propylnaphthalene
CID 58232616
2-pentylnaphthalene;prop-1-ene
CID 173098363
(2-fluoro-4-pentylphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139853883

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene?
The IUPAC name of 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene (CID 175592722) is 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene.
What is the SMILES notation for 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene?
The canonical SMILES for 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene is C=C(c1ccc2cc(CCCCCC)ccc2c1)c1ccc2cc3cc(CCCCCC)ccc3cc2c1.
What is the InChIKey of 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene?
The InChIKey is RFZRONOHMFFSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42/c1-4-6-8-10-12-29-14-16-34-24-31(18-20-33(34)22-29)28(3)32-19-21-36-26-37-23-30(13-11-9-7-5-2)15-17-35(37)27-38(36)25-32/h14-27H,3-13H2,1-2H3.
What are the key properties of 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene?
2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene has a molecular weight of 498.75 g/mol, XLogP of 11.45, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene is sourced from PubChem (CID 175592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).