3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine

C72H45GeN12+ — CID 59866423

IUPAC3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3ccc4c(c3)[Ge]3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5[nH]c6cccnc6[n+]5-c5ccccc5)cc43)nc3cccnc32)cc1
InChIInChI=1S/C72H44GeN12/c1-5-17-49(18-6-1)82-65(78-61-25-13-37-74-69(61)82)45-29-33-53-54-34-30-46(66-79-62-26-14-38-75-70(62)83(66)50-19-7-2-8-20-50)42-58(54)73(57(53)41-45)59-43-47(67-80-63-27-15-39-76-71(63)84(67)51-21-9-3-10-22-51)31-35-55(59)56-36-32-48(44-60(56)73)68-81-64-28-16-40-77-72(64)85(68)52-23-11-4-12-24-52/h1-44H/p+1
InChIKeyLPBJPBFBOPBARH-UHFFFAOYSA-O
MW1150.85 g/mol
LogP12.05
Rot. Bonds8

About 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine

3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine (PubChem CID 59866423) has the molecular formula C72H45GeN12+ and a molecular weight of 1150.85 g/mol. Its IUPAC name is 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine
PubChem CID59866423
Molecular FormulaC72H45GeN12+
Molecular Weight1150.85 g/mol
Exact Mass1151.31
IUPAC Name3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3ccc4c(c3)[Ge]3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5[nH]c6cccnc6[n+]5-c5ccccc5)cc43)nc3cccnc32)cc1
InChIInChI=1S/C72H44GeN12/c1-5-17-49(18-6-1)82-65(78-61-25-13-37-74-69(61)82)45-29-33-53-54-34-30-46(66-79-62-26-14-38-75-70(62)83(66)50-19-7-2-8-20-50)42-58(54)73(57(53)41-45)59-43-47(67-80-63-27-15-39-76-71(63)84(67)51-21-9-3-10-22-51)31-35-55(59)56-36-32-48(44-60(56)73)68-81-64-28-16-40-77-72(64)85(68)52-23-11-4-12-24-52/h1-44H/p+1
InChIKeyLPBJPBFBOPBARH-UHFFFAOYSA-O
XLogP12.05
TPSA124.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.85
LogP ≤ 512.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

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CID 44546490
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CID 58266371
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine (CID 59866423) is 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3ccc4c(c3)[Ge]3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5[nH]c6cccnc6[n+]5-c5ccccc5)cc43)nc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine?
The InChIKey is LPBJPBFBOPBARH-UHFFFAOYSA-O. The full InChI is InChI=1S/C72H44GeN12/c1-5-17-49(18-6-1)82-65(78-61-25-13-37-74-69(61)82)45-29-33-53-54-34-30-46(66-79-62-26-14-38-75-70(62)83(66)50-19-7-2-8-20-50)42-58(54)73(57(53)41-45)59-43-47(67-80-63-27-15-39-76-71(63)84(67)51-21-9-3-10-22-51)31-35-55(59)56-36-32-48(44-60(56)73)68-81-64-28-16-40-77-72(64)85(68)52-23-11-4-12-24-52/h1-44H/p+1.
What are the key properties of 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine?
3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine has a molecular weight of 1150.85 g/mol, XLogP of 12.05, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7'-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 59866423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).