7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene

C50H32 — CID 58535903

IUPAC7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
SMILESc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc5ccccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C50H32/c1-3-13-38-31-42(26-22-33(38)10-1)41-16-9-15-40(30-41)35-20-24-37(25-21-35)49-46-19-8-7-18-45(46)48(43-27-23-34-11-2-4-14-39(34)32-43)47-29-28-36-12-5-6-17-44(36)50(47)49/h1-32H
InChIKeyRJKSCUQSYDROOS-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene

7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene (PubChem CID 58535903) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene.

Molecular Properties

Compound Name7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
PubChem CID58535903
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
SMILESc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc5ccccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C50H32/c1-3-13-38-31-42(26-22-33(38)10-1)41-16-9-15-40(30-41)35-20-24-37(25-21-35)49-46-19-8-7-18-45(46)48(43-27-23-34-11-2-4-14-39(34)32-43)47-29-28-36-12-5-6-17-44(36)50(47)49/h1-32H
InChIKeyRJKSCUQSYDROOS-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

7-naphthalen-2-yl-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535897
7-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
CID 140792268
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
CID 59629514
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
CID 140792247

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene?
The IUPAC name of 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene (CID 58535903) is 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene.
What is the SMILES notation for 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene?
The canonical SMILES for 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene is c1cc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc5ccccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene?
The InChIKey is RJKSCUQSYDROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-13-38-31-42(26-22-33(38)10-1)41-16-9-15-40(30-41)35-20-24-37(25-21-35)49-46-19-8-7-18-45(46)48(43-27-23-34-11-2-4-14-39(34)32-43)47-29-28-36-12-5-6-17-44(36)50(47)49/h1-32H.
What are the key properties of 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene?
7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene is sourced from PubChem (CID 58535903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).