1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene

C24H20 — CID 102219651

IUPAC1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene
SMILESC#Cc1cc(C(C)(C)C)cc(C#C)c1-c1cccc2ccccc12
InChIInChI=1S/C24H20/c1-6-17-15-20(24(3,4)5)16-18(7-2)23(17)22-14-10-12-19-11-8-9-13-21(19)22/h1-2,8-16H,3-5H3
InChIKeyKYYLMQBIQXZTLF-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.77
Rot. Bonds1

About 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene

1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene (PubChem CID 102219651) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene
PubChem CID102219651
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene
SMILESC#Cc1cc(C(C)(C)C)cc(C#C)c1-c1cccc2ccccc12
InChIInChI=1S/C24H20/c1-6-17-15-20(24(3,4)5)16-18(7-2)23(17)22-14-10-12-19-11-8-9-13-21(19)22/h1-2,8-16H,3-5H3
InChIKeyKYYLMQBIQXZTLF-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
CID 168720021
9-tert-butyl-2-(3,5-ditert-butylphenyl)-10-naphthalen-1-ylanthracene
CID 123207711
2-tert-butyl-9-[4-(2-methylphenyl)naphthalen-1-yl]-10-naphthalen-1-ylanthracene
CID 58895436
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
2-tert-butyl-6-naphthalen-1-ylbenzonitrile
CID 90264129
1-(2,4,6-tritert-butylphenyl)pentacene
CID 141153745
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
1,8-bis[2-(4-tert-butylphenyl)ethynyl]-3,6-dinaphthalen-1-ylpyrene
CID 155614887

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene?
The IUPAC name of 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene (CID 102219651) is 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene.
What is the SMILES notation for 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene?
The canonical SMILES for 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene is C#Cc1cc(C(C)(C)C)cc(C#C)c1-c1cccc2ccccc12.
What is the InChIKey of 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene?
The InChIKey is KYYLMQBIQXZTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-6-17-15-20(24(3,4)5)16-18(7-2)23(17)22-14-10-12-19-11-8-9-13-21(19)22/h1-2,8-16H,3-5H3.
What are the key properties of 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene?
1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene has a molecular weight of 308.42 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene is sourced from PubChem (CID 102219651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).