2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline

C40H24N4 — CID 139363999

IUPAC2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc3cccnc3c3nc(-c4ccc5cc(-c6ccc7cc8ccccc8cc7n6)ccc5n4)ccc23)cc1
InChIInChI=1S/C40H24N4/c1-2-7-25(8-3-1)33-23-31-11-6-20-41-39(31)40-32(33)15-19-37(44-40)36-18-14-29-22-28(12-16-34(29)42-36)35-17-13-30-21-26-9-4-5-10-27(26)24-38(30)43-35/h1-24H
InChIKeyAWZUUDCHUGNPFU-UHFFFAOYSA-N
MW560.66 g/mol
LogP10.03
Rot. Bonds3

About 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline

2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline (PubChem CID 139363999) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline
PubChem CID139363999
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc3cccnc3c3nc(-c4ccc5cc(-c6ccc7cc8ccccc8cc7n6)ccc5n4)ccc23)cc1
InChIInChI=1S/C40H24N4/c1-2-7-25(8-3-1)33-23-31-11-6-20-41-39(31)40-32(33)15-19-37(44-40)36-18-14-29-22-28(12-16-34(29)42-36)35-17-13-30-21-26-9-4-5-10-27(26)24-38(30)43-35/h1-24H
InChIKeyAWZUUDCHUGNPFU-UHFFFAOYSA-N
XLogP10.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023236
5-[4-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780665
2-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445845
2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 161400463
5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165086971
2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 129208722
4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165088310
4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165039274
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 165104577
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
5-[4-[6-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780917

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline (CID 139363999) is 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline is c1ccc(-c2cc3cccnc3c3nc(-c4ccc5cc(-c6ccc7cc8ccccc8cc7n6)ccc5n4)ccc23)cc1.
What is the InChIKey of 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline?
The InChIKey is AWZUUDCHUGNPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c1-2-7-25(8-3-1)33-23-31-11-6-20-41-39(31)40-32(33)15-19-37(44-40)36-18-14-29-22-28(12-16-34(29)42-36)35-17-13-30-21-26-9-4-5-10-27(26)24-38(30)43-35/h1-24H.
What are the key properties of 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline?
2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline has a molecular weight of 560.66 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline is sourced from PubChem (CID 139363999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).