2,6-bis(6-ethylnaphthalen-2-yl)anthracene

C38H30 — CID 59141275

IUPAC2,6-bis(6-ethylnaphthalen-2-yl)anthracene
SMILESCCc1ccc2cc(-c3ccc4cc5cc(-c6ccc7cc(CC)ccc7c6)ccc5cc4c3)ccc2c1
InChIInChI=1S/C38H30/c1-3-25-5-7-29-19-31(11-9-27(29)17-25)33-13-15-35-24-38-22-34(14-16-36(38)23-37(35)21-33)32-12-10-28-18-26(4-2)6-8-30(28)20-32/h5-24H,3-4H2,1-2H3
InChIKeyTZPDOVOHGSUNSZ-UHFFFAOYSA-N
MW486.66 g/mol
LogP10.76
Rot. Bonds4

About 2,6-bis(6-ethylnaphthalen-2-yl)anthracene

2,6-bis(6-ethylnaphthalen-2-yl)anthracene (PubChem CID 59141275) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2,6-bis(6-ethylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name2,6-bis(6-ethylnaphthalen-2-yl)anthracene
PubChem CID59141275
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name2,6-bis(6-ethylnaphthalen-2-yl)anthracene
SMILESCCc1ccc2cc(-c3ccc4cc5cc(-c6ccc7cc(CC)ccc7c6)ccc5cc4c3)ccc2c1
InChIInChI=1S/C38H30/c1-3-25-5-7-29-19-31(11-9-27(29)17-25)33-13-15-35-24-38-22-34(14-16-36(38)23-37(35)21-33)32-12-10-28-18-26(4-2)6-8-30(28)20-32/h5-24H,3-4H2,1-2H3
InChIKeyTZPDOVOHGSUNSZ-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-ethylnaphthalen-2-yl)phenyl]methylphosphane
CID 163973650
2-ethyl-7-(4-fluorophenyl)phenanthrene
CID 139883413
ethane;2-ethylnaphthalene
CID 90684887
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
2-ethyl-6-fluoronaphthalene
CID 58787061
6-ethylnaphthalene-2-thiol
CID 139481477
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
CID 145465634
3-chloro-6-ethyl-2-methoxynaphthalene
CID 162345335
(6-ethylnaphthalen-2-yl)methyl-trimethylsilane
CID 134960161
8,22-diethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 118153192
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(6-ethylnaphthalen-2-yl)anthracene?
The IUPAC name of 2,6-bis(6-ethylnaphthalen-2-yl)anthracene (CID 59141275) is 2,6-bis(6-ethylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 2,6-bis(6-ethylnaphthalen-2-yl)anthracene?
The canonical SMILES for 2,6-bis(6-ethylnaphthalen-2-yl)anthracene is CCc1ccc2cc(-c3ccc4cc5cc(-c6ccc7cc(CC)ccc7c6)ccc5cc4c3)ccc2c1.
What is the InChIKey of 2,6-bis(6-ethylnaphthalen-2-yl)anthracene?
The InChIKey is TZPDOVOHGSUNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-3-25-5-7-29-19-31(11-9-27(29)17-25)33-13-15-35-24-38-22-34(14-16-36(38)23-37(35)21-33)32-12-10-28-18-26(4-2)6-8-30(28)20-32/h5-24H,3-4H2,1-2H3.
What are the key properties of 2,6-bis(6-ethylnaphthalen-2-yl)anthracene?
2,6-bis(6-ethylnaphthalen-2-yl)anthracene has a molecular weight of 486.66 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(6-ethylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 59141275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).