9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene

C56H36 — CID 123216582

IUPAC9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc3c(-c4ccc5cc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)ccc5c4)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H36/c1-3-15-38(16-4-1)47-24-13-25-49-46(32-33-48(56(47)49)39-17-5-2-6-18-39)43-29-27-42-36-45(31-28-41(42)34-43)55-52-22-11-9-20-50(52)54(51-21-10-12-23-53(51)55)44-30-26-37-14-7-8-19-40(37)35-44/h1-36H
InChIKeyPAOPCKTZWKBWMU-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene

9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene (PubChem CID 123216582) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
PubChem CID123216582
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
SMILESc1ccc(-c2cccc3c(-c4ccc5cc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)ccc5c4)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H36/c1-3-15-38(16-4-1)47-24-13-25-49-46(32-33-48(56(47)49)39-17-5-2-6-18-39)43-29-27-42-36-45(31-28-41(42)34-43)55-52-22-11-9-20-50(52)54(51-21-10-12-23-53(51)55)44-30-26-37-14-7-8-19-40(37)35-44/h1-36H
InChIKeyPAOPCKTZWKBWMU-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 515.79
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

3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene (CID 123216582) is 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene is c1ccc(-c2cccc3c(-c4ccc5cc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)ccc5c4)ccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
The InChIKey is PAOPCKTZWKBWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-3-15-38(16-4-1)47-24-13-25-49-46(32-33-48(56(47)49)39-17-5-2-6-18-39)43-29-27-42-36-45(31-28-41(42)34-43)55-52-22-11-9-20-50(52)54(51-21-10-12-23-53(51)55)44-30-26-37-14-7-8-19-40(37)35-44/h1-36H.
What are the key properties of 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 123216582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).