2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene

C48H30 — CID 58323119

IUPAC2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4cccc5ccccc45)cc23)cc1
InChIInChI=1S/C48H30/c1-2-14-32(15-3-1)47-42-22-10-11-23-43(42)48(44-28-25-33(29-46(44)47)36-24-12-16-31-13-4-5-17-35(31)36)34-26-27-41-39-20-7-6-18-37(39)38-19-8-9-21-40(38)45(41)30-34/h1-30H
InChIKeyIOQOASNJYPGFMX-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene

2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene (PubChem CID 58323119) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
PubChem CID58323119
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4cccc5ccccc45)cc23)cc1
InChIInChI=1S/C48H30/c1-2-14-32(15-3-1)47-42-22-10-11-23-43(42)48(44-28-25-33(29-46(44)47)36-24-12-16-31-13-4-5-17-35(31)36)34-26-27-41-39-20-7-6-18-37(39)38-19-8-9-21-40(38)45(41)30-34/h1-30H
InChIKeyIOQOASNJYPGFMX-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
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-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
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
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
CID 59638681
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene?
The IUPAC name of 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene (CID 58323119) is 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene.
What is the SMILES notation for 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene?
The canonical SMILES for 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene is c1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4cccc5ccccc45)cc23)cc1.
What is the InChIKey of 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene?
The InChIKey is IOQOASNJYPGFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-14-32(15-3-1)47-42-22-10-11-23-43(42)48(44-28-25-33(29-46(44)47)36-24-12-16-31-13-4-5-17-35(31)36)34-26-27-41-39-20-7-6-18-37(39)38-19-8-9-21-40(38)45(41)30-34/h1-30H.
What are the key properties of 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene?
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene is sourced from PubChem (CID 58323119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).