9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene

C50H38 — CID 144837312

IUPAC9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
SMILESCC(C)(C)c1cccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)c3ccccc23)c1
InChIInChI=1S/C50H38/c1-50(2,3)41-16-10-15-39(31-41)48-43-17-6-8-19-45(43)49(46-20-9-7-18-44(46)48)40-29-27-35-14-11-21-42(47(35)32-40)36-25-22-34(23-26-36)38-28-24-33-12-4-5-13-37(33)30-38/h4-32H,1-3H3
InChIKeyPSLSYWQXPMXLAJ-UHFFFAOYSA-N
MW638.85 g/mol
LogP14.26
Rot. Bonds4

About 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene

9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene (PubChem CID 144837312) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
PubChem CID144837312
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
SMILESCC(C)(C)c1cccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)c3ccccc23)c1
InChIInChI=1S/C50H38/c1-50(2,3)41-16-10-15-39(31-41)48-43-17-6-8-19-45(43)49(46-20-9-7-18-44(46)48)40-29-27-35-14-11-21-42(47(35)32-40)36-25-22-34(23-26-36)38-28-24-33-12-4-5-13-37(33)30-38/h4-32H,1-3H3
InChIKeyPSLSYWQXPMXLAJ-UHFFFAOYSA-N
XLogP14.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 514.26
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-ylphenyl)anthracene
CID 123147035
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
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
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
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
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
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
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691

Frequently Asked Questions

What is the IUPAC name of 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene (CID 144837312) is 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene is CC(C)(C)c1cccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is PSLSYWQXPMXLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-50(2,3)41-16-10-15-39(31-41)48-43-17-6-8-19-45(43)49(46-20-9-7-18-44(46)48)40-29-27-35-14-11-21-42(47(35)32-40)36-25-22-34(23-26-36)38-28-24-33-12-4-5-13-37(33)30-38/h4-32H,1-3H3.
What are the key properties of 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene has a molecular weight of 638.85 g/mol, XLogP of 14.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 144837312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).