2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine

C56H36N6 — CID 23391276

IUPAC2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccccc2-n2c(-c3cc(-c4cccc5c4ccc4ccccc45)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C56H36N6/c1-3-16-37(17-4-1)45-22-9-11-28-51(45)61-53(59-49-26-14-32-57-55(49)61)41-34-40(44-24-13-25-47-43-21-8-7-20-39(43)30-31-48(44)47)35-42(36-41)54-60-50-27-15-33-58-56(50)62(54)52-29-12-10-23-46(52)38-18-5-2-6-19-38/h1-36H
InChIKeyCNTDNGLTMQKSNB-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

About 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine

2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 23391276) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
PubChem CID23391276
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccccc2-n2c(-c3cc(-c4cccc5c4ccc4ccccc45)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C56H36N6/c1-3-16-37(17-4-1)45-22-9-11-28-51(45)61-53(59-49-26-14-32-57-55(49)61)41-34-40(44-24-13-25-47-43-21-8-7-20-39(43)30-31-48(44)47)35-42(36-41)54-60-50-27-15-33-58-56(50)62(54)52-29-12-10-23-46(52)38-18-5-2-6-19-38/h1-36H
InChIKeyCNTDNGLTMQKSNB-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (CID 23391276) is 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is c1ccc(-c2ccccc2-n2c(-c3cc(-c4cccc5c4ccc4ccccc45)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1.
What is the InChIKey of 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is CNTDNGLTMQKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-3-16-37(17-4-1)45-22-9-11-28-51(45)61-53(59-49-26-14-32-57-55(49)61)41-34-40(44-24-13-25-47-43-21-8-7-20-39(43)30-31-48(44)47)35-42(36-41)54-60-50-27-15-33-58-56(50)62(54)52-29-12-10-23-46(52)38-18-5-2-6-19-38/h1-36H.
What are the key properties of 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenanthren-1-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).