3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine

C50H32N6 — CID 23391355

IUPAC3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)c5ccccc45)cc3)nc3cccnc32)cc1
InChIInChI=1S/C50H32N6/c1-3-13-37(14-4-1)55-47(53-43-21-11-31-51-49(43)55)35-27-23-33(24-28-35)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)34-25-29-36(30-26-34)48-54-44-22-12-32-52-50(44)56(48)38-15-5-2-6-16-38/h1-32H
InChIKeyPVMJTAPRFGSXKI-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine

3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 23391355) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
PubChem CID23391355
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)c5ccccc45)cc3)nc3cccnc32)cc1
InChIInChI=1S/C50H32N6/c1-3-13-37(14-4-1)55-47(53-43-21-11-31-51-49(43)55)35-27-23-33(24-28-35)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)34-25-29-36(30-26-34)48-54-44-22-12-32-52-50(44)56(48)38-15-5-2-6-16-38/h1-32H
InChIKeyPVMJTAPRFGSXKI-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 58732005
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934
3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-pyren-4-ylphenyl]imidazo[4,5-b]pyridine
CID 23391353
7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502686
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine (CID 23391355) is 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)c5ccccc45)cc3)nc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine?
The InChIKey is PVMJTAPRFGSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-13-37(14-4-1)55-47(53-43-21-11-31-51-49(43)55)35-27-23-33(24-28-35)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)34-25-29-36(30-26-34)48-54-44-22-12-32-52-50(44)56(48)38-15-5-2-6-16-38/h1-32H.
What are the key properties of 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine?
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).