9,10-dinaphthalen-1-ylanthracene;bis(pyridine)

C44H32N2 — CID 139077687

IUPAC9,10-dinaphthalen-1-ylanthracene;bis(pyridine)
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccncc1.c1ccncc1
InChIInChI=1S/C34H22.2C5H5N/c1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;2*1-2-4-6-5-3-1/h1-22H;2*1-5H
InChIKeyVXNMGJPMERLXCF-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.80
Rot. Bonds2

About 9,10-dinaphthalen-1-ylanthracene;bis(pyridine)

9,10-dinaphthalen-1-ylanthracene;bis(pyridine) (PubChem CID 139077687) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-ylanthracene;bis(pyridine).

Molecular Properties

Compound Name9,10-dinaphthalen-1-ylanthracene;bis(pyridine)
PubChem CID139077687
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name9,10-dinaphthalen-1-ylanthracene;bis(pyridine)
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccncc1.c1ccncc1
InChIInChI=1S/C34H22.2C5H5N/c1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;2*1-2-4-6-5-3-1/h1-22H;2*1-5H
InChIKeyVXNMGJPMERLXCF-UHFFFAOYSA-N
XLogP11.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-1-ylanthracene;bis(pyridine)?
The IUPAC name of 9,10-dinaphthalen-1-ylanthracene;bis(pyridine) (CID 139077687) is 9,10-dinaphthalen-1-ylanthracene;bis(pyridine).
What is the SMILES notation for 9,10-dinaphthalen-1-ylanthracene;bis(pyridine)?
The canonical SMILES for 9,10-dinaphthalen-1-ylanthracene;bis(pyridine) is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccncc1.c1ccncc1.
What is the InChIKey of 9,10-dinaphthalen-1-ylanthracene;bis(pyridine)?
The InChIKey is VXNMGJPMERLXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22.2C5H5N/c1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;2*1-2-4-6-5-3-1/h1-22H;2*1-5H.
What are the key properties of 9,10-dinaphthalen-1-ylanthracene;bis(pyridine)?
9,10-dinaphthalen-1-ylanthracene;bis(pyridine) has a molecular weight of 588.75 g/mol, XLogP of 11.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-1-ylanthracene;bis(pyridine) is sourced from PubChem (CID 139077687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).