9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene

C50H32 — CID 58876197

IUPAC9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-15-34(16-3-1)47-39-18-6-8-20-41(39)48(42-21-9-7-19-40(42)47)35-27-29-36(30-28-35)49-43-22-10-12-24-45(43)50(46-25-13-11-23-44(46)49)38-31-26-33-14-4-5-17-37(33)32-38/h1-32H
InChIKeyIYBNVTKTRROVHB-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene

9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (PubChem CID 58876197) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
PubChem CID58876197
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-15-34(16-3-1)47-39-18-6-8-20-41(39)48(42-21-9-7-19-40(42)47)35-27-29-36(30-28-35)49-43-22-10-12-24-45(43)50(46-25-13-11-23-44(46)49)38-31-26-33-14-4-5-17-37(33)32-38/h1-32H
InChIKeyIYBNVTKTRROVHB-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'}

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Related Compounds

9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
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
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (CID 58876197) is 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
The InChIKey is IYBNVTKTRROVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-15-34(16-3-1)47-39-18-6-8-20-41(39)48(42-21-9-7-19-40(42)47)35-27-29-36(30-28-35)49-43-22-10-12-24-45(43)50(46-25-13-11-23-44(46)49)38-31-26-33-14-4-5-17-37(33)32-38/h1-32H.
What are the key properties of 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]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 9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene is sourced from PubChem (CID 58876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).