3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline

C58H36N2 — CID 59861500

IUPAC3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
SMILESc1ccc2ncc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cnc8ccccc8c7)c7ccccc67)cc5)cc4)c4ccccc34)cc2c1
InChIInChI=1S/C58H36N2/c1-11-23-53-41(13-1)33-43(35-59-53)57-49-19-7-3-15-45(49)55(46-16-4-8-20-50(46)57)39-29-25-37(26-30-39)38-27-31-40(32-28-38)56-47-17-5-9-21-51(47)58(52-22-10-6-18-48(52)56)44-34-42-14-2-12-24-54(42)60-36-44/h1-36H
InChIKeyATGQHFXEGYPNDG-UHFFFAOYSA-N
MW760.94 g/mol
LogP15.73
Rot. Bonds5

About 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline

3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline (PubChem CID 59861500) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline.

Molecular Properties

Compound Name3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
PubChem CID59861500
Molecular FormulaC58H36N2
Molecular Weight760.94 g/mol
Exact Mass760.29
IUPAC Name3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
SMILESc1ccc2ncc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cnc8ccccc8c7)c7ccccc67)cc5)cc4)c4ccccc34)cc2c1
InChIInChI=1S/C58H36N2/c1-11-23-53-41(13-1)33-43(35-59-53)57-49-19-7-3-15-45(49)55(46-16-4-8-20-50(46)57)39-29-25-37(26-30-39)38-27-31-40(32-28-38)56-47-17-5-9-21-51(47)58(52-22-10-6-18-48(52)56)44-34-42-14-2-12-24-54(42)60-36-44/h1-36H
InChIKeyATGQHFXEGYPNDG-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 515.73
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 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline?
The IUPAC name of 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline (CID 59861500) is 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline.
What is the SMILES notation for 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline?
The canonical SMILES for 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline is c1ccc2ncc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cnc8ccccc8c7)c7ccccc67)cc5)cc4)c4ccccc34)cc2c1.
What is the InChIKey of 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline?
The InChIKey is ATGQHFXEGYPNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-11-23-53-41(13-1)33-43(35-59-53)57-49-19-7-3-15-45(49)55(46-16-4-8-20-50(46)57)39-29-25-37(26-30-39)38-27-31-40(32-28-38)56-47-17-5-9-21-51(47)58(52-22-10-6-18-48(52)56)44-34-42-14-2-12-24-54(42)60-36-44/h1-36H.
What are the key properties of 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline?
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline has a molecular weight of 760.94 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline is sourced from PubChem (CID 59861500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).