2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene

C44H40 — CID 140869806

IUPAC2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C44H40/c1-43(2,3)33-24-26-38-39(27-33)41(31-14-8-7-9-15-31)37-25-23-34(44(4,5)6)28-40(37)42(38)32-21-19-30(20-22-32)36-18-12-16-29-13-10-11-17-35(29)36/h7-28H,1-6H3
InChIKeyZEEPWWNSZRFUAC-UHFFFAOYSA-N
MW568.80 g/mol
LogP12.74
Rot. Bonds3

About 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene

2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene (PubChem CID 140869806) has the molecular formula C44H40 and a molecular weight of 568.80 g/mol. Its IUPAC name is 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene.

Molecular Properties

Compound Name2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
PubChem CID140869806
Molecular FormulaC44H40
Molecular Weight568.80 g/mol
Exact Mass568.31
IUPAC Name2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C44H40/c1-43(2,3)33-24-26-38-39(27-33)41(31-14-8-7-9-15-31)37-25-23-34(44(4,5)6)28-40(37)42(38)32-21-19-30(20-22-32)36-18-12-16-29-13-10-11-17-35(29)36/h7-28H,1-6H3
InChIKeyZEEPWWNSZRFUAC-UHFFFAOYSA-N
XLogP12.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 512.74
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

2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 163845433
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-yl-2-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 161266075
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-trimethylsilane;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(2-naphthalen-2-ylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;trimethyl-[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]silane
CID 165062503
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene?
The IUPAC name of 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene (CID 140869806) is 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene.
What is the SMILES notation for 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene?
The canonical SMILES for 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene is CC(C)(C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene?
The InChIKey is ZEEPWWNSZRFUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40/c1-43(2,3)33-24-26-38-39(27-33)41(31-14-8-7-9-15-31)37-25-23-34(44(4,5)6)28-40(37)42(38)32-21-19-30(20-22-32)36-18-12-16-29-13-10-11-17-35(29)36/h7-28H,1-6H3.
What are the key properties of 2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene?
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene has a molecular weight of 568.80 g/mol, XLogP of 12.74, 3 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-(4-naphthalen-1-ylphenyl)-10-phenylanthracene is sourced from PubChem (CID 140869806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).