9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene

C44H28 — CID 58194514

IUPAC9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-13-29(14-3-1)32-27-28-42(35-18-7-6-17-33(32)35)44-40-21-10-8-19-38(40)43(39-20-9-11-22-41(39)44)37-24-12-23-34-31-16-5-4-15-30(31)25-26-36(34)37/h1-28H
InChIKeyOZAVBOFBYSJNIF-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene

9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 58194514) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID58194514
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-13-29(14-3-1)32-27-28-42(35-18-7-6-17-33(32)35)44-40-21-10-8-19-38(40)43(39-20-9-11-22-41(39)44)37-24-12-23-34-31-16-5-4-15-30(31)25-26-36(34)37/h1-28H
InChIKeyOZAVBOFBYSJNIF-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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

1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-1-ylanthracene;9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160962271
1-phenylphenanthrene;pyrazine
CID 175377735
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 158259921
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 58194514) is 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is OZAVBOFBYSJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-13-29(14-3-1)32-27-28-42(35-18-7-6-17-33(32)35)44-40-21-10-8-19-38(40)43(39-20-9-11-22-41(39)44)37-24-12-23-34-31-16-5-4-15-30(31)25-26-36(34)37/h1-28H.
What are the key properties of 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 58194514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).