2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene

C58H36 — CID 143986124

IUPAC2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
SMILESc1ccc2cc(-c3c4cc(-c5cccc6ccccc56)ccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C58H36/c1-2-16-40-33-44(28-27-37(40)13-1)57-52-31-29-43(48-26-12-19-39-15-4-7-21-46(39)48)36-56(52)58(54-34-41-17-5-8-22-49(41)50-23-9-10-24-51(50)54)53-32-30-42(35-55(53)57)47-25-11-18-38-14-3-6-20-45(38)47/h1-36H
InChIKeyQSXPAAJPRPNUKI-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.43
Rot. Bonds4

About 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene

2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene (PubChem CID 143986124) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene.

Molecular Properties

Compound Name2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
PubChem CID143986124
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
SMILESc1ccc2cc(-c3c4cc(-c5cccc6ccccc56)ccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C58H36/c1-2-16-40-33-44(28-27-37(40)13-1)57-52-31-29-43(48-26-12-19-39-15-4-7-21-46(39)48)36-56(52)58(54-34-41-17-5-8-22-49(41)50-23-9-10-24-51(50)54)53-32-30-42(35-55(53)57)47-25-11-18-38-14-3-6-20-45(38)47/h1-36H
InChIKeyQSXPAAJPRPNUKI-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-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene
CID 58323468
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 158406092
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene
CID 158312736
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
2,9-dinaphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-(3,5-diphenylphenyl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-phenanthren-9-yl-10-phenylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-phenylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 167600702
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene?
The IUPAC name of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene (CID 143986124) is 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene.
What is the SMILES notation for 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene?
The canonical SMILES for 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene is c1ccc2cc(-c3c4cc(-c5cccc6ccccc56)ccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1.
What is the InChIKey of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene?
The InChIKey is QSXPAAJPRPNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-2-16-40-33-44(28-27-37(40)13-1)57-52-31-29-43(48-26-12-19-39-15-4-7-21-46(39)48)36-56(52)58(54-34-41-17-5-8-22-49(41)50-23-9-10-24-51(50)54)53-32-30-42(35-55(53)57)47-25-11-18-38-14-3-6-20-45(38)47/h1-36H.
What are the key properties of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene?
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene 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 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 143986124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).