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

C52H30N8 — CID 23391336

IUPAC8-[2-[3-pyren-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESc1cnc2c(-n3c(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1
InChIInChI=1S/C52H30N8/c1-8-31-18-19-33-20-22-39(40-23-21-32(9-1)45(31)46(33)40)36-28-37(49-57-41-14-6-26-55-51(41)59(49)43-16-2-10-34-12-4-24-53-47(34)43)30-38(29-36)50-58-42-15-7-27-56-52(42)60(50)44-17-3-11-35-13-5-25-54-48(35)44/h1-30H
InChIKeyFADQMEMBQJZQDU-UHFFFAOYSA-N
MW766.87 g/mol
LogP12.15
Rot. Bonds5

About 8-[2-[3-pyren-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-pyren-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (PubChem CID 23391336) has the molecular formula C52H30N8 and a molecular weight of 766.87 g/mol. Its IUPAC name is 8-[2-[3-pyren-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-pyren-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
PubChem CID23391336
Molecular FormulaC52H30N8
Molecular Weight766.87 g/mol
Exact Mass766.26
IUPAC Name8-[2-[3-pyren-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESc1cnc2c(-n3c(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1
InChIInChI=1S/C52H30N8/c1-8-31-18-19-33-20-22-39(40-23-21-32(9-1)45(31)46(33)40)36-28-37(49-57-41-14-6-26-55-51(41)59(49)43-16-2-10-34-12-4-24-53-47(34)43)30-38(29-36)50-58-42-15-7-27-56-52(42)60(50)44-17-3-11-35-13-5-25-54-48(35)44/h1-30H
InChIKeyFADQMEMBQJZQDU-UHFFFAOYSA-N
XLogP12.15
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.87
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[2-[3-pyren-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
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
6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-benzoimidazole
CID 10052528
4-methyl-2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 10480536

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-pyren-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-pyren-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (CID 23391336) is 8-[2-[3-pyren-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-pyren-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-pyren-1-yl-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is c1cnc2c(-n3c(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1.
What is the InChIKey of 8-[2-[3-pyren-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 FADQMEMBQJZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N8/c1-8-31-18-19-33-20-22-39(40-23-21-32(9-1)45(31)46(33)40)36-28-37(49-57-41-14-6-26-55-51(41)59(49)43-16-2-10-34-12-4-24-53-47(34)43)30-38(29-36)50-58-42-15-7-27-56-52(42)60(50)44-17-3-11-35-13-5-25-54-48(35)44/h1-30H.
What are the key properties of 8-[2-[3-pyren-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-pyren-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 766.87 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-pyren-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 23391336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).