9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene

C44H34 — CID 123978082

IUPAC9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc12
InChIInChI=1S/C44H34/c1-44(2,3)43-40-22-12-11-21-38(40)42(37-23-13-17-30-16-7-8-18-32(30)37)39-25-24-31(28-41(39)43)34-27-26-33(29-14-5-4-6-15-29)35-19-9-10-20-36(34)35/h4-28H,1-3H3
InChIKeyOUWQWYKEBGRDPJ-UHFFFAOYSA-N
MW562.76 g/mol
LogP12.60
Rot. Bonds3

About 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene

9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 123978082) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID123978082
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc12
InChIInChI=1S/C44H34/c1-44(2,3)43-40-22-12-11-21-38(40)42(37-23-13-17-30-16-7-8-18-32(30)37)39-25-24-31(28-41(39)43)34-27-26-33(29-14-5-4-6-15-29)35-19-9-10-20-36(34)35/h4-28H,1-3H3
InChIKeyOUWQWYKEBGRDPJ-UHFFFAOYSA-N
XLogP12.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 512.60
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

9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
CID 123351108
9-tert-butyl-2-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-ylanthracene
CID 123878906
9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-9-ylanthracene
CID 123371385
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 161108763
9-tert-butyl-2-(3,5-ditert-butylphenyl)-10-naphthalen-1-ylanthracene
CID 123207711
8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
CID 123404270
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 123147035
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene (CID 123978082) is 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene is CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc12.
What is the InChIKey of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is OUWQWYKEBGRDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-44(2,3)43-40-22-12-11-21-38(40)42(37-23-13-17-30-16-7-8-18-32(30)37)39-25-24-31(28-41(39)43)34-27-26-33(29-14-5-4-6-15-29)35-19-9-10-20-36(34)35/h4-28H,1-3H3.
What are the key properties of 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 562.76 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 123978082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).