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

C72H44GeN12 — CID 23391365

IUPAC3-phenyl-2-[3,3',7'-tris(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(-c5nc6cccnc6n5-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
InChIKeyLPBJPBFBOPBARH-UHFFFAOYSA-N
MW1149.84 g/mol
LogP12.63
Rot. Bonds8

About 3-phenyl-2-[3,3',7'-tris(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-[3,3',7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7-yl]imidazo[4,5-b]pyridine (PubChem CID 23391365) has the molecular formula C72H44GeN12 and a molecular weight of 1149.84 g/mol. Its IUPAC name is 3-phenyl-2-[3,3',7'-tris(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-[3,3',7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7-yl]imidazo[4,5-b]pyridine
PubChem CID23391365
Molecular FormulaC72H44GeN12
Molecular Weight1149.84 g/mol
Exact Mass1150.30
IUPAC Name3-phenyl-2-[3,3',7'-tris(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(-c5nc6cccnc6n5-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
InChIKeyLPBJPBFBOPBARH-UHFFFAOYSA-N
XLogP12.63
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.84
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-phenyl-2-[3,3',7'-tris(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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3,3',7'-tris(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-[3,3',7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzogermole]-7-yl]imidazo[4,5-b]pyridine (CID 23391365) is 3-phenyl-2-[3,3',7'-tris(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-[3,3',7'-tris(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-[3,3',7'-tris(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(-c5nc6cccnc6n5-c5ccccc5)cc43)nc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2-[3,3',7'-tris(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-N. 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.
What are the key properties of 3-phenyl-2-[3,3',7'-tris(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-[3,3',7'-tris(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 1149.84 g/mol, XLogP of 12.63, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3,3',7'-tris(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 23391365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).