8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline

C50H30N8 — CID 20606863

IUPAC8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESc1ccc2cc3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)cccc3cc2c1
InChIInChI=1S/C50H30N8/c1-2-11-34-30-40-35(26-33(34)10-1)14-3-17-39(40)36-27-37(47-55-41-18-8-24-53-49(41)57(47)43-20-4-12-31-15-6-22-51-45(31)43)29-38(28-36)48-56-42-19-9-25-54-50(42)58(48)44-21-5-13-32-16-7-23-52-46(32)44/h1-30H
InChIKeyOSSJKAZUHMOHTR-UHFFFAOYSA-N
MW742.85 g/mol
LogP11.56
Rot. Bonds5

About 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline

8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (PubChem CID 20606863) has the molecular formula C50H30N8 and a molecular weight of 742.85 g/mol. Its IUPAC name is 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
PubChem CID20606863
Molecular FormulaC50H30N8
Molecular Weight742.85 g/mol
Exact Mass742.26
IUPAC Name8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESc1ccc2cc3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)cccc3cc2c1
InChIInChI=1S/C50H30N8/c1-2-11-34-30-40-35(26-33(34)10-1)14-3-17-39(40)36-27-37(47-55-41-18-8-24-53-49(41)57(47)43-20-4-12-31-15-6-22-51-45(31)43)29-38(28-36)48-56-42-19-9-25-54-50(42)58(48)44-21-5-13-32-16-7-23-52-46(32)44/h1-30H
InChIKeyOSSJKAZUHMOHTR-UHFFFAOYSA-N
XLogP11.56
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.85
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline with MolForge

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Related Compounds

1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
7-(5,6-Dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 56595784
(8S)-N-methyl-N-[[1-[[(3S)-1-(3-pyridylmethyl)-3-piperidyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11547495
Dibenzo(f,h)pyrido(2,3-b)quinoxaline
CID 258692
4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-3-(2H-tetrazol-5-yl)quinoline
CID 10344235
1-[[3-[(4-Cyanophenyl)methyl]imidazol-4-yl]methyl]-5-naphthalen-1-ylindole-6-carbonitrile
CID 44445095
7-(5,6-Dimethyl-2-pyridin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 76329214
7-(5,6-Dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 76332864
5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
CID 3361555
10-Phenyl-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline
CID 4414550

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The IUPAC name of 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (CID 20606863) is 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is c1ccc2cc3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)cccc3cc2c1.
What is the InChIKey of 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The InChIKey is OSSJKAZUHMOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N8/c1-2-11-34-30-40-35(26-33(34)10-1)14-3-17-39(40)36-27-37(47-55-41-18-8-24-53-49(41)57(47)43-20-4-12-31-15-6-22-51-45(31)43)29-38(28-36)48-56-42-19-9-25-54-50(42)58(48)44-21-5-13-32-16-7-23-52-46(32)44/h1-30H.
What are the key properties of 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline has a molecular weight of 742.85 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-anthracen-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is sourced from PubChem (CID 20606863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).