2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene

C54H34 — CID 59583027

IUPAC2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-14-36-31-39(28-27-35(36)13-1)37-15-11-17-41(32-37)53-48-23-7-9-25-50(48)54(51-26-10-8-24-49(51)53)42-18-12-16-38(33-42)40-29-30-47-45-21-4-3-19-43(45)44-20-5-6-22-46(44)52(47)34-40/h1-34H
InChIKeyMBSFDGRXQMABGL-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene

2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene (PubChem CID 59583027) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
PubChem CID59583027
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccccc23)c1
InChIInChI=1S/C54H34/c1-2-14-36-31-39(28-27-35(36)13-1)37-15-11-17-41(32-37)53-48-23-7-9-25-50(48)54(51-26-10-8-24-49(51)53)42-18-12-16-38(33-42)40-29-30-47-45-21-4-3-19-43(45)44-20-5-6-22-46(44)52(47)34-40/h1-34H
InChIKeyMBSFDGRXQMABGL-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
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
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
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
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene?
The IUPAC name of 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene (CID 59583027) is 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene.
What is the SMILES notation for 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene?
The canonical SMILES for 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccccc23)c1.
What is the InChIKey of 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene?
The InChIKey is MBSFDGRXQMABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-14-36-31-39(28-27-35(36)13-1)37-15-11-17-41(32-37)53-48-23-7-9-25-50(48)54(51-26-10-8-24-49(51)53)42-18-12-16-38(33-42)40-29-30-47-45-21-4-3-19-43(45)44-20-5-6-22-46(44)52(47)34-40/h1-34H.
What are the key properties of 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene?
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene is sourced from PubChem (CID 59583027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).