9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene

C56H36 — CID 59413034

IUPAC9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
SMILESc1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)ccc3ccccc23)cc1
InChIInChI=1S/C56H36/c1-2-17-38(18-3-1)54-45-25-7-4-16-37(45)32-33-46(54)39-20-14-22-42(34-39)55-49-28-10-12-30-51(49)56(52-31-13-11-29-50(52)55)43-23-15-21-40(35-43)53-36-41-19-5-6-24-44(41)47-26-8-9-27-48(47)53/h1-36H
InChIKeyUHCJYJGVYDHJEF-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene

9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene (PubChem CID 59413034) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
PubChem CID59413034
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
SMILESc1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)ccc3ccccc23)cc1
InChIInChI=1S/C56H36/c1-2-17-38(18-3-1)54-45-25-7-4-16-37(45)32-33-46(54)39-20-14-22-42(34-39)55-49-28-10-12-30-51(49)56(52-31-13-11-29-50(52)55)43-23-15-21-40(35-43)53-36-41-19-5-6-24-44(41)47-26-8-9-27-48(47)53/h1-36H
InChIKeyUHCJYJGVYDHJEF-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 515.79
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

9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
CID 144837172
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The IUPAC name of 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene (CID 59413034) is 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene.
What is the SMILES notation for 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The canonical SMILES for 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene is c1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)ccc3ccccc23)cc1.
What is the InChIKey of 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The InChIKey is UHCJYJGVYDHJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-17-38(18-3-1)54-45-25-7-4-16-37(45)32-33-46(54)39-20-14-22-42(34-39)55-49-28-10-12-30-51(49)56(52-31-13-11-29-50(52)55)43-23-15-21-40(35-43)53-36-41-19-5-6-24-44(41)47-26-8-9-27-48(47)53/h1-36H.
What are the key properties of 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene is sourced from PubChem (CID 59413034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).