3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene

C38H48 — CID 173284561

IUPAC3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene
SMILESC=c1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc2c1=c1c(=C)c(C(C)(C)C)cc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C38H48/c1-23-31(37(9,10)11)21-25-19-27(35(3,4)5)15-17-29(25)33(23)34-24(2)32(38(12,13)14)22-26-20-28(36(6,7)8)16-18-30(26)34/h15-22H,1-2H2,3-14H3
InChIKeyBXDBQIRCHKHBPN-UHFFFAOYSA-N
MW504.80 g/mol
LogP9.29
Rot. Bonds

About 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene

3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene (PubChem CID 173284561) has the molecular formula C38H48 and a molecular weight of 504.80 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene.

Molecular Properties

Compound Name3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene
PubChem CID173284561
Molecular FormulaC38H48
Molecular Weight504.80 g/mol
Exact Mass504.38
IUPAC Name3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene
SMILESC=c1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc2c1=c1c(=C)c(C(C)(C)C)cc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C38H48/c1-23-31(37(9,10)11)21-25-19-27(35(3,4)5)15-17-29(25)33(23)34-24(2)32(38(12,13)14)22-26-20-28(36(6,7)8)16-18-30(26)34/h15-22H,1-2H2,3-14H3
InChIKeyBXDBQIRCHKHBPN-UHFFFAOYSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123877985
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2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
CID 169050425
1-amino-6-tert-butylnaphthalene-2-thiol
CID 58927019
2,7-ditert-butylphenazine
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1,7-ditert-butylnaphthalene
CID 59350345
6-tert-butyl-1-methylnaphthalene
CID 3019609
3,6-ditert-butyl-1-nitronaphthalene
CID 640604
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CID 118283497
3,6-ditert-butyl-1-benzothiophene
CID 59402895
CID 143036156
CID 143036156

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene?
The IUPAC name of 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene (CID 173284561) is 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene.
What is the SMILES notation for 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene?
The canonical SMILES for 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene is C=c1c(C(C)(C)C)cc2cc(C(C)(C)C)ccc2c1=c1c(=C)c(C(C)(C)C)cc2cc(C(C)(C)C)ccc12.
What is the InChIKey of 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene?
The InChIKey is BXDBQIRCHKHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48/c1-23-31(37(9,10)11)21-25-19-27(35(3,4)5)15-17-29(25)33(23)34-24(2)32(38(12,13)14)22-26-20-28(36(6,7)8)16-18-30(26)34/h15-22H,1-2H2,3-14H3.
What are the key properties of 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene?
3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene has a molecular weight of 504.80 g/mol, XLogP of 9.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1-(3,6-ditert-butyl-2-methylidenenaphthalen-1-ylidene)-2-methylidenenaphthalene is sourced from PubChem (CID 173284561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).