9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene

C58H36 — CID 153438358

IUPAC9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C58H36/c1-3-15-40-33-42(29-25-37(40)13-1)55-47-17-5-9-21-51(47)57(52-22-10-6-18-48(52)55)44-31-27-39-28-32-45(36-46(39)35-44)58-53-23-11-7-19-49(53)56(50-20-8-12-24-54(50)58)43-30-26-38-14-2-4-16-41(38)34-43/h1-36H
InChIKeyLLNKJCOZDVNBKY-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.43
Rot. Bonds4

About 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene

9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene (PubChem CID 153438358) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
PubChem CID153438358
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C58H36/c1-3-15-40-33-42(29-25-37(40)13-1)55-47-17-5-9-21-51(47)57(52-22-10-6-18-48(52)55)44-31-27-39-28-32-45(36-46(39)35-44)58-53-23-11-7-19-49(53)56(50-20-8-12-24-54(50)58)43-30-26-38-14-2-4-16-41(38)34-43/h1-36H
InChIKeyLLNKJCOZDVNBKY-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 516.43
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-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene (CID 153438358) is 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene?
The InChIKey is LLNKJCOZDVNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-3-15-40-33-42(29-25-37(40)13-1)55-47-17-5-9-21-51(47)57(52-22-10-6-18-48(52)55)44-31-27-39-28-32-45(36-46(39)35-44)58-53-23-11-7-19-49(53)56(50-20-8-12-24-54(50)58)43-30-26-38-14-2-4-16-41(38)34-43/h1-36H.
What are the key properties of 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene?
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene has a molecular weight of 732.93 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 153438358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).