2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene

C58H36 — CID 123954707

IUPAC2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8c9ccccc9c9ccccc9c8c7)c7ccccc67)cc5c4)cc3)ccc2c1
InChIInChI=1S/C58H36/c1-2-12-41-33-42(28-25-37(41)11-1)38-21-23-39(24-22-38)43-29-26-40-27-30-44(35-46(40)34-43)57-52-17-7-9-19-54(52)58(55-20-10-8-18-53(55)57)45-31-32-51-49-15-4-3-13-47(49)48-14-5-6-16-50(48)56(51)36-45/h1-36H
InChIKeySFIQHNDPBRYEMJ-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.43
Rot. Bonds4

About 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene

2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene (PubChem CID 123954707) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
PubChem CID123954707
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8c9ccccc9c9ccccc9c8c7)c7ccccc67)cc5c4)cc3)ccc2c1
InChIInChI=1S/C58H36/c1-2-12-41-33-42(28-25-37(41)11-1)38-21-23-39(24-22-38)43-29-26-40-27-30-44(35-46(40)34-43)57-52-17-7-9-19-54(52)58(55-20-10-8-18-53(55)57)45-31-32-51-49-15-4-3-13-47(49)48-14-5-6-16-50(48)56(51)36-45/h1-36H
InChIKeySFIQHNDPBRYEMJ-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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene (CID 123954707) is 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene is c1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8c9ccccc9c9ccccc9c8c7)c7ccccc67)cc5c4)cc3)ccc2c1.
What is the InChIKey of 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The InChIKey is SFIQHNDPBRYEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-2-12-41-33-42(28-25-37(41)11-1)38-21-23-39(24-22-38)43-29-26-40-27-30-44(35-46(40)34-43)57-52-17-7-9-19-54(52)58(55-20-10-8-18-53(55)57)45-31-32-51-49-15-4-3-13-47(49)48-14-5-6-16-50(48)56(51)36-45/h1-36H.
What are the key properties of 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene 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 2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene is sourced from PubChem (CID 123954707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).