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

C44H34 — CID 123147035

IUPAC9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc12
InChIInChI=1S/C44H34/c1-44(2,3)43-40-17-9-8-16-38(40)42(35-24-21-29-11-4-5-13-33(29)27-35)39-26-25-34(28-41(39)43)30-19-22-32(23-20-30)37-18-10-14-31-12-6-7-15-36(31)37/h4-28H,1-3H3
InChIKeyOPPPSIMIZUFBHD-UHFFFAOYSA-N
MW562.76 g/mol
LogP12.60
Rot. Bonds3

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

9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 123147035) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
PubChem CID123147035
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc12
InChIInChI=1S/C44H34/c1-44(2,3)43-40-17-9-8-16-38(40)42(35-24-21-29-11-4-5-13-33(29)27-35)39-26-25-34(28-41(39)43)30-19-22-32(23-20-30)37-18-10-14-31-12-6-7-15-36(31)37/h4-28H,1-3H3
InChIKeyOPPPSIMIZUFBHD-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-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
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
CID 123351108
9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 144837312
9-tert-butyl-2-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-ylanthracene
CID 123878906
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 123978082
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene (CID 123147035) is 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene is CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc12.
What is the InChIKey of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
The InChIKey is OPPPSIMIZUFBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-44(2,3)43-40-17-9-8-16-38(40)42(35-24-21-29-11-4-5-13-33(29)27-35)39-26-25-34(28-41(39)43)30-19-22-32(23-20-30)37-18-10-14-31-12-6-7-15-36(31)37/h4-28H,1-3H3.
What are the key properties of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)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-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 123147035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).