2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline

C41H25N3 — CID 139364036

IUPAC2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
SMILESc1ccc2cc3nc(-c4cc(-c5cnc6ccccc6c5)cc(-c5ccc6cc7ccccc7cc6n5)c4)ccc3cc2c1
InChIInChI=1S/C41H25N3/c1-3-9-28-23-40-31(17-26(28)7-1)13-15-38(43-40)34-20-33(36-19-30-11-5-6-12-37(30)42-25-36)21-35(22-34)39-16-14-32-18-27-8-2-4-10-29(27)24-41(32)44-39/h1-25H
InChIKeyFFQAVHXANYMPHT-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.64
Rot. Bonds3

About 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline

2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline (PubChem CID 139364036) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline.

Molecular Properties

Compound Name2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
PubChem CID139364036
Molecular FormulaC41H25N3
Molecular Weight559.67 g/mol
Exact Mass559.20
IUPAC Name2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
SMILESc1ccc2cc3nc(-c4cc(-c5cnc6ccccc6c5)cc(-c5ccc6cc7ccccc7cc6n5)c4)ccc3cc2c1
InChIInChI=1S/C41H25N3/c1-3-9-28-23-40-31(17-26(28)7-1)13-15-38(43-40)34-20-33(36-19-30-11-5-6-12-37(30)42-25-36)21-35(22-34)39-16-14-32-18-27-8-2-4-10-29(27)24-41(32)44-39/h1-25H
InChIKeyFFQAVHXANYMPHT-UHFFFAOYSA-N
XLogP10.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
2-(3-benzo[g]quinolin-2-yl-5-pyridin-4-ylphenyl)benzo[g]quinoline
CID 139364038
2-phenylbenzo[g]quinoline
CID 45113076
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 139364165
2-[3-[2-(3,5-dipyridin-2-ylphenyl)quinolin-6-yl]phenyl]benzo[g]quinoline
CID 139363998
2-[3,5-di(quinolin-3-yl)phenyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-[2-(3-quinolin-3-ylphenyl)quinolin-7-yl]quinoline;2-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165071745
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
2-naphthalen-2-yl-9-[3-(6-quinolin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
CID 134167446
2-(3-benzo[g]quinolin-2-yl-5-quinolin-8-ylphenyl)benzo[g]quinoline
CID 139364035
2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
CID 134167568

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline?
The IUPAC name of 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline (CID 139364036) is 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline.
What is the SMILES notation for 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline?
The canonical SMILES for 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline is c1ccc2cc3nc(-c4cc(-c5cnc6ccccc6c5)cc(-c5ccc6cc7ccccc7cc6n5)c4)ccc3cc2c1.
What is the InChIKey of 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline?
The InChIKey is FFQAVHXANYMPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-3-9-28-23-40-31(17-26(28)7-1)13-15-38(43-40)34-20-33(36-19-30-11-5-6-12-37(30)42-25-36)21-35(22-34)39-16-14-32-18-27-8-2-4-10-29(27)24-41(32)44-39/h1-25H.
What are the key properties of 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline?
2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline has a molecular weight of 559.67 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline is sourced from PubChem (CID 139364036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).