6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde

C30H30O2 — CID 19966368

IUPAC6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde
SMILESCC(C)(C)c1ccc2c(C=O)c(C(=O)c3ccc(C(C)(C)C)c4ccccc34)ccc2c1
InChIInChI=1S/C30H30O2/c1-29(2,3)20-12-14-21-19(17-20)11-13-25(26(21)18-31)28(32)24-15-16-27(30(4,5)6)23-10-8-7-9-22(23)24/h7-18H,1-6H3
InChIKeyJTGRJOCVIPQRCY-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.63
Rot. Bonds3

About 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde

6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde (PubChem CID 19966368) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde
PubChem CID19966368
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde
SMILESCC(C)(C)c1ccc2c(C=O)c(C(=O)c3ccc(C(C)(C)C)c4ccccc34)ccc2c1
InChIInChI=1S/C30H30O2/c1-29(2,3)20-12-14-21-19(17-20)11-13-25(26(21)18-31)28(32)24-15-16-27(30(4,5)6)23-10-8-7-9-22(23)24/h7-18H,1-6H3
InChIKeyJTGRJOCVIPQRCY-UHFFFAOYSA-N
XLogP7.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde?
The IUPAC name of 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde (CID 19966368) is 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde is CC(C)(C)c1ccc2c(C=O)c(C(=O)c3ccc(C(C)(C)C)c4ccccc34)ccc2c1.
What is the InChIKey of 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde?
The InChIKey is JTGRJOCVIPQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c1-29(2,3)20-12-14-21-19(17-20)11-13-25(26(21)18-31)28(32)24-15-16-27(30(4,5)6)23-10-8-7-9-22(23)24/h7-18H,1-6H3.
What are the key properties of 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde?
6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde has a molecular weight of 422.57 g/mol, XLogP of 7.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-tert-butylnaphthalene-1-carbonyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 19966368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).