(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one

C30H30O2 — CID 58648706

IUPAC(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
SMILESCC(C)(C)C1=C/C(=C\C=C2/C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O
InChIInChI=1S/C30H30O2/c1-29(2,3)25-17-19(21-11-7-9-13-23(21)27(25)31)15-16-20-18-26(30(4,5)6)28(32)24-14-10-8-12-22(20)24/h7-18H,1-6H3/b19-15+,20-16+
InChIKeySOJOYDFRAHGNKW-MXWIWYRXSA-N
MW422.57 g/mol
LogP7.49
Rot. Bonds1

About (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one

(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one (PubChem CID 58648706) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
PubChem CID58648706
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
SMILESCC(C)(C)C1=C/C(=C\C=C2/C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O
InChIInChI=1S/C30H30O2/c1-29(2,3)25-17-19(21-11-7-9-13-23(21)27(25)31)15-16-20-18-26(30(4,5)6)28(32)24-14-10-8-12-22(20)24/h7-18H,1-6H3/b19-15+,20-16+
InChIKeySOJOYDFRAHGNKW-MXWIWYRXSA-N
XLogP7.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The IUPAC name of (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one (CID 58648706) is (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one.
What is the SMILES notation for (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The canonical SMILES for (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one is CC(C)(C)C1=C/C(=C\C=C2/C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O.
What is the InChIKey of (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The InChIKey is SOJOYDFRAHGNKW-MXWIWYRXSA-N. The full InChI is InChI=1S/C30H30O2/c1-29(2,3)25-17-19(21-11-7-9-13-23(21)27(25)31)15-16-20-18-26(30(4,5)6)28(32)24-14-10-8-12-22(20)24/h7-18H,1-6H3/b19-15+,20-16+.
What are the key properties of (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one has a molecular weight of 422.57 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one is sourced from PubChem (CID 58648706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).