2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene

C48H30 — CID 59583058

IUPAC2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C48H30/c1-2-12-31(13-3-1)32-22-23-34-29-35(25-24-33(34)28-32)47-42-18-8-10-20-44(42)48(45-21-11-9-19-43(45)47)36-26-27-41-39-16-5-4-14-37(39)38-15-6-7-17-40(38)46(41)30-36/h1-30H
InChIKeyVNPYWAZZPKWFIC-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene

2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene (PubChem CID 59583058) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
PubChem CID59583058
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C48H30/c1-2-12-31(13-3-1)32-22-23-34-29-35(25-24-33(34)28-32)47-42-18-8-10-20-44(42)48(45-21-11-9-19-43(45)47)36-26-27-41-39-16-5-4-14-37(39)38-15-6-7-17-40(38)46(41)30-36/h1-30H
InChIKeyVNPYWAZZPKWFIC-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

2,7-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
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037

Frequently Asked Questions

What is the IUPAC name of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene (CID 59583058) is 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene is c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene?
The InChIKey is VNPYWAZZPKWFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-12-31(13-3-1)32-22-23-34-29-35(25-24-33(34)28-32)47-42-18-8-10-20-44(42)48(45-21-11-9-19-43(45)47)36-26-27-41-39-16-5-4-14-37(39)38-15-6-7-17-40(38)46(41)30-36/h1-30H.
What are the key properties of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene?
2-[10-(6-phenylnaphthalen-2-yl)anthracen-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-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene is sourced from PubChem (CID 59583058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).