2-[3-[3,5-bis[3,5-bis(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

C96H60N18 — CID 23391282

IUPAC2-[3-[3,5-bis[3,5-bis(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)cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C96H60N18/c1-7-25-73(26-8-1)109-85(103-79-37-19-43-97-91(79)109)67-52-64(53-68(58-67)86-104-80-38-20-44-98-92(80)110(86)74-27-9-2-10-28-74)61-49-62(65-54-69(87-105-81-39-21-45-99-93(81)111(87)75-29-11-3-12-30-75)59-70(55-65)88-106-82-40-22-46-100-94(82)112(88)76-31-13-4-14-32-76)51-63(50-61)66-56-71(89-107-83-41-23-47-101-95(83)113(89)77-33-15-5-16-34-77)60-72(57-66)90-108-84-42-24-48-102-96(84)114(90)78-35-17-6-18-36-78/h1-60H
InChIKeySEUSUUOXNDNJBQ-UHFFFAOYSA-N
MW1465.66 g/mol
LogP21.09
Rot. Bonds15

About 2-[3-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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 23391282) has the molecular formula C96H60N18 and a molecular weight of 1465.66 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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 CID23391282
Molecular FormulaC96H60N18
Molecular Weight1465.66 g/mol
Exact Mass1464.52
IUPAC Name2-[3-[3,5-bis[3,5-bis(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)cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C96H60N18/c1-7-25-73(26-8-1)109-85(103-79-37-19-43-97-91(79)109)67-52-64(53-68(58-67)86-104-80-38-20-44-98-92(80)110(86)74-27-9-2-10-28-74)61-49-62(65-54-69(87-105-81-39-21-45-99-93(81)111(87)75-29-11-3-12-30-75)59-70(55-65)88-106-82-40-22-46-100-94(82)112(88)76-31-13-4-14-32-76)51-63(50-61)66-56-71(89-107-83-41-23-47-101-95(83)113(89)77-33-15-5-16-34-77)60-72(57-66)90-108-84-42-24-48-102-96(84)114(90)78-35-17-6-18-36-78/h1-60H
InChIKeySEUSUUOXNDNJBQ-UHFFFAOYSA-N
XLogP21.09
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001465.66
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[3-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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 23391282) is 2-[3-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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)cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1.
What is the InChIKey of 2-[3-[3,5-bis[3,5-bis(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 SEUSUUOXNDNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N18/c1-7-25-73(26-8-1)109-85(103-79-37-19-43-97-91(79)109)67-52-64(53-68(58-67)86-104-80-38-20-44-98-92(80)110(86)74-27-9-2-10-28-74)61-49-62(65-54-69(87-105-81-39-21-45-99-93(81)111(87)75-29-11-3-12-30-75)59-70(55-65)88-106-82-40-22-46-100-94(82)112(88)76-31-13-4-14-32-76)51-63(50-61)66-56-71(89-107-83-41-23-47-101-95(83)113(89)77-33-15-5-16-34-77)60-72(57-66)90-108-84-42-24-48-102-96(84)114(90)78-35-17-6-18-36-78/h1-60H.
What are the key properties of 2-[3-[3,5-bis[3,5-bis(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-[3,5-bis[3,5-bis(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 1465.66 g/mol, XLogP of 21.09, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis[3,5-bis(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 23391282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).