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

C126H79N24+ — CID 23391278

IUPAC2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6[nH]c7cccnc7[n+]6-c6ccccc6)c5)cc4-c4cc(-c5nc6cccnc6n5-c5ccccc5)cc(-c5nc6cccnc6n5-c5ccccc5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C126H78N24/c1-9-33-91(34-10-1)143-111(135-103-49-25-57-127-119(103)143)83-65-79(66-84(73-83)112-136-104-50-26-58-128-120(104)144(112)92-35-11-2-12-36-92)99-77-101(81-69-87(115-139-107-53-29-61-131-123(107)147(115)95-41-17-5-18-42-95)75-88(70-81)116-140-108-54-30-62-132-124(108)148(116)96-43-19-6-20-44-96)102(82-71-89(117-141-109-55-31-63-133-125(109)149(117)97-45-21-7-22-46-97)76-90(72-82)118-142-110-56-32-64-134-126(110)150(118)98-47-23-8-24-48-98)78-100(99)80-67-85(113-137-105-51-27-59-129-121(105)145(113)93-37-13-3-14-38-93)74-86(68-80)114-138-106-52-28-60-130-122(106)146(114)94-39-15-4-16-40-94/h1-78H/p+1
InChIKeyIROPICFVASASLZ-UHFFFAOYSA-O
MW1929.19 g/mol
LogP26.98
Rot. Bonds20

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

2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine (PubChem CID 23391278) has the molecular formula C126H79N24+ and a molecular weight of 1929.19 g/mol. Its IUPAC name is 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
PubChem CID23391278
Molecular FormulaC126H79N24+
Molecular Weight1929.19 g/mol
Exact Mass1927.69
IUPAC Name2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6[nH]c7cccnc7[n+]6-c6ccccc6)c5)cc4-c4cc(-c5nc6cccnc6n5-c5ccccc5)cc(-c5nc6cccnc6n5-c5ccccc5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C126H78N24/c1-9-33-91(34-10-1)143-111(135-103-49-25-57-127-119(103)143)83-65-79(66-84(73-83)112-136-104-50-26-58-128-120(104)144(112)92-35-11-2-12-36-92)99-77-101(81-69-87(115-139-107-53-29-61-131-123(107)147(115)95-41-17-5-18-42-95)75-88(70-81)116-140-108-54-30-62-132-124(108)148(116)96-43-19-6-20-44-96)102(82-71-89(117-141-109-55-31-63-133-125(109)149(117)97-45-21-7-22-46-97)76-90(72-82)118-142-110-56-32-64-134-126(110)150(118)98-47-23-8-24-48-98)78-100(99)80-67-85(113-137-105-51-27-59-129-121(105)145(113)93-37-13-3-14-38-93)74-86(68-80)114-138-106-52-28-60-130-122(106)146(114)94-39-15-4-16-40-94/h1-78H/p+1
InChIKeyIROPICFVASASLZ-UHFFFAOYSA-O
XLogP26.98
TPSA247.53 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001929.19
LogP ≤ 526.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine (CID 23391278) is 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine is c1ccc(-n2c(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6[nH]c7cccnc7[n+]6-c6ccccc6)c5)cc4-c4cc(-c5nc6cccnc6n5-c5ccccc5)cc(-c5nc6cccnc6n5-c5ccccc5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1.
What is the InChIKey of 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is IROPICFVASASLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C126H78N24/c1-9-33-91(34-10-1)143-111(135-103-49-25-57-127-119(103)143)83-65-79(66-84(73-83)112-136-104-50-26-58-128-120(104)144(112)92-35-11-2-12-36-92)99-77-101(81-69-87(115-139-107-53-29-61-131-123(107)147(115)95-41-17-5-18-42-95)75-88(70-81)116-140-108-54-30-62-132-124(108)148(116)96-43-19-6-20-44-96)102(82-71-89(117-141-109-55-31-63-133-125(109)149(117)97-45-21-7-22-46-97)76-90(72-82)118-142-110-56-32-64-134-126(110)150(118)98-47-23-8-24-48-98)78-100(99)80-67-85(113-137-105-51-27-59-129-121(105)145(113)93-37-13-3-14-38-93)74-86(68-80)114-138-106-52-28-60-130-122(106)146(114)94-39-15-4-16-40-94/h1-78H/p+1.
What are the key properties of 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 1929.19 g/mol, XLogP of 26.98, 20 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-4-[3-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23391278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).