9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene

C48H30 — CID 58194513

IUPAC9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6ccc7ccccc7c56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C48H30/c1-3-17-34-31(13-1)15-11-25-39(34)47-41-21-7-9-23-43(41)48(44-24-10-8-22-42(44)47)45-30-29-38(36-19-5-6-20-37(36)45)40-26-12-16-33-28-27-32-14-2-4-18-35(32)46(33)40/h1-30H
InChIKeyDQGFRJBNIKCQES-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene

9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene (PubChem CID 58194513) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
PubChem CID58194513
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6ccc7ccccc7c56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C48H30/c1-3-17-34-31(13-1)15-11-25-39(34)47-41-21-7-9-23-43(41)48(44-24-10-8-22-42(44)47)45-30-29-38(36-19-5-6-20-37(36)45)40-26-12-16-33-28-27-32-14-2-4-18-35(32)46(33)40/h1-30H
InChIKeyDQGFRJBNIKCQES-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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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene (CID 58194513) is 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6ccc7ccccc7c56)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene?
The InChIKey is DQGFRJBNIKCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-17-34-31(13-1)15-11-25-39(34)47-41-21-7-9-23-43(41)48(44-24-10-8-22-42(44)47)45-30-29-38(36-19-5-6-20-37(36)45)40-26-12-16-33-28-27-32-14-2-4-18-35(32)46(33)40/h1-30H.
What are the key properties of 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene?
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene 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 9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 58194513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).