2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C42H26N4 — CID 155023081

IUPAC2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)nc5c4)cc3n2)cc1
InChIInChI=1S/C42H26N4/c1-2-6-27(7-3-1)36-20-17-28-11-15-32(25-39(28)44-36)33-16-12-29-18-21-37(45-40(29)26-33)34-8-4-9-35(24-34)38-22-19-31-14-13-30-10-5-23-43-41(30)42(31)46-38/h1-26H
InChIKeyAIPPOSVUWQOQRJ-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.55
Rot. Bonds4

About 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 155023081) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
PubChem CID155023081
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)nc5c4)cc3n2)cc1
InChIInChI=1S/C42H26N4/c1-2-6-27(7-3-1)36-20-17-28-11-15-32(25-39(28)44-36)33-16-12-29-18-21-37(45-40(29)26-33)34-8-4-9-35(24-34)38-22-19-31-14-13-30-10-5-23-43-41(30)42(31)46-38/h1-26H
InChIKeyAIPPOSVUWQOQRJ-UHFFFAOYSA-N
XLogP10.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 155023081) is 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)nc5c4)cc3n2)cc1.
What is the InChIKey of 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
The InChIKey is AIPPOSVUWQOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-2-6-27(7-3-1)36-20-17-28-11-15-32(25-39(28)44-36)33-16-12-29-18-21-37(45-40(29)26-33)34-8-4-9-35(24-34)38-22-19-31-14-13-30-10-5-23-43-41(30)42(31)46-38/h1-26H.
What are the key properties of 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 155023081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).