1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene

C52H32 — CID 160935690

IUPAC1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7c8ccccc8c8ccccc8c67)cc5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C52H32/c1-2-15-38-34(13-1)14-11-25-43(38)52-48-22-9-7-20-46(48)50(47-21-8-10-23-49(47)52)36-30-28-33-27-29-35(31-37(33)32-36)39-24-12-26-45-42-17-4-3-16-40(42)41-18-5-6-19-44(41)51(39)45/h1-32H
InChIKeySTVQDJLZLJLLQT-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene

1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene (PubChem CID 160935690) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene.

Molecular Properties

Compound Name1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
PubChem CID160935690
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7c8ccccc8c8ccccc8c67)cc5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C52H32/c1-2-15-38-34(13-1)14-11-25-43(38)52-48-22-9-7-20-46(48)50(47-21-8-10-23-49(47)52)36-30-28-33-27-29-35(31-37(33)32-36)39-24-12-26-45-42-17-4-3-16-40(42)41-18-5-6-19-44(41)51(39)45/h1-32H
InChIKeySTVQDJLZLJLLQT-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
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

9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
9-naphthalen-1-yl-1,4,10-trinaphthalen-2-ylanthracene
CID 143913988
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene
CID 161455354
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-[7-(2,4-diphenylphenyl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
CID 123233888
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene
CID 161003965
9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 158915055

Frequently Asked Questions

What is the IUPAC name of 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene?
The IUPAC name of 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene (CID 160935690) is 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene.
What is the SMILES notation for 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene?
The canonical SMILES for 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene is c1ccc2c(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7c8ccccc8c8ccccc8c67)cc5c4)c4ccccc34)cccc2c1.
What is the InChIKey of 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene?
The InChIKey is STVQDJLZLJLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-2-15-38-34(13-1)14-11-25-43(38)52-48-22-9-7-20-46(48)50(47-21-8-10-23-49(47)52)36-30-28-33-27-29-35(31-37(33)32-36)39-24-12-26-45-42-17-4-3-16-40(42)41-18-5-6-19-44(41)51(39)45/h1-32H.
What are the key properties of 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene?
1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene is sourced from PubChem (CID 160935690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).