2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane

C40H50 — CID 144640372

IUPAC2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
SMILESCC.CC.Cc1ccc(-c2c3ccc(C(C)(C)C)cc3c(-c3ccc(C)cc3)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C36H38.2C2H6/c1-23-9-13-25(14-10-23)33-29-19-17-28(36(6,7)8)22-32(29)34(26-15-11-24(2)12-16-26)30-20-18-27(21-31(30)33)35(3,4)5;2*1-2/h9-22H,1-8H3;2*1-2H3
InChIKeyFOJKFSWFLHJEQS-UHFFFAOYSA-N
MW530.84 g/mol
LogP12.59
Rot. Bonds2

About 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane

2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane (PubChem CID 144640372) has the molecular formula C40H50 and a molecular weight of 530.84 g/mol. Its IUPAC name is 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane.

Molecular Properties

Compound Name2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
PubChem CID144640372
Molecular FormulaC40H50
Molecular Weight530.84 g/mol
Exact Mass530.39
IUPAC Name2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
SMILESCC.CC.Cc1ccc(-c2c3ccc(C(C)(C)C)cc3c(-c3ccc(C)cc3)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C36H38.2C2H6/c1-23-9-13-25(14-10-23)33-29-19-17-28(36(6,7)8)22-32(29)34(26-15-11-24(2)12-16-26)30-20-18-27(21-31(30)33)35(3,4)5;2*1-2/h9-22H,1-8H3;2*1-2H3
InChIKeyFOJKFSWFLHJEQS-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.84
LogP ≤ 512.59
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

2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
CID 144640366
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
CID 162426516
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,3,8-trimethyltetracene
CID 162426404
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene
CID 91269159
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
3,8-bis(2,6-ditert-butyl-10-phenylanthracen-9-yl)-1-N,1-N,6-N,6-N-tetrakis(4-methylphenyl)pyrene-1,6-diamine
CID 59309088
9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane?
The IUPAC name of 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane (CID 144640372) is 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane.
What is the SMILES notation for 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane?
The canonical SMILES for 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane is CC.CC.Cc1ccc(-c2c3ccc(C(C)(C)C)cc3c(-c3ccc(C)cc3)c3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane?
The InChIKey is FOJKFSWFLHJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38.2C2H6/c1-23-9-13-25(14-10-23)33-29-19-17-28(36(6,7)8)22-32(29)34(26-15-11-24(2)12-16-26)30-20-18-27(21-31(30)33)35(3,4)5;2*1-2/h9-22H,1-8H3;2*1-2H3.
What are the key properties of 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane?
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane has a molecular weight of 530.84 g/mol, XLogP of 12.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane is sourced from PubChem (CID 144640372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).