2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene

C58H44 — CID 58323521

IUPAC2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4cc(C5CCCCC5)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C58H44/c1-3-15-39(16-4-1)43-31-33-53-55(37-43)57(47-25-11-23-45(35-47)51-29-13-21-41-19-7-9-27-49(41)51)54-34-32-44(40-17-5-2-6-18-40)38-56(54)58(53)48-26-12-24-46(36-48)52-30-14-22-42-20-8-10-28-50(42)52/h1,3-4,7-16,19-38,40H,2,5-6,17-18H2
InChIKeyQDWXWISYSRFMLB-UHFFFAOYSA-N
MW740.99 g/mol
LogP16.68
Rot. Bonds6

About 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene

2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene (PubChem CID 58323521) has the molecular formula C58H44 and a molecular weight of 740.99 g/mol. Its IUPAC name is 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene.

Molecular Properties

Compound Name2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene
PubChem CID58323521
Molecular FormulaC58H44
Molecular Weight740.99 g/mol
Exact Mass740.34
IUPAC Name2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4cc(C5CCCCC5)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C58H44/c1-3-15-39(16-4-1)43-31-33-53-55(37-43)57(47-25-11-23-45(35-47)51-29-13-21-41-19-7-9-27-49(41)51)54-34-32-44(40-17-5-2-6-18-40)38-56(54)58(53)48-26-12-24-46(36-48)52-30-14-22-42-20-8-10-28-50(42)52/h1,3-4,7-16,19-38,40H,2,5-6,17-18H2
InChIKeyQDWXWISYSRFMLB-UHFFFAOYSA-N
XLogP16.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.99
LogP ≤ 516.68
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

2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene?
The IUPAC name of 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene (CID 58323521) is 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene.
What is the SMILES notation for 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene?
The canonical SMILES for 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene is c1ccc(-c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4cc(C5CCCCC5)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1.
What is the InChIKey of 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene?
The InChIKey is QDWXWISYSRFMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44/c1-3-15-39(16-4-1)43-31-33-53-55(37-43)57(47-25-11-23-45(35-47)51-29-13-21-41-19-7-9-27-49(41)51)54-34-32-44(40-17-5-2-6-18-40)38-56(54)58(53)48-26-12-24-46(36-48)52-30-14-22-42-20-8-10-28-50(42)52/h1,3-4,7-16,19-38,40H,2,5-6,17-18H2.
What are the key properties of 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene?
2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene has a molecular weight of 740.99 g/mol, XLogP of 16.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene is sourced from PubChem (CID 58323521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).