4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline

C122H80N8 — CID 160846068

IUPAC4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc6c5ccc5cccnc56)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H42N4.C58H38N4/c1-6-17-45(18-7-1)58-38-54(39-59(66-58)46-19-8-2-9-20-46)52-35-51(36-53(37-52)55-40-60(47-21-10-3-11-22-47)67-61(41-55)48-23-12-4-13-24-48)43-28-30-44(31-29-43)57-42-62(49-25-14-5-15-26-49)68-64-56(57)33-32-50-27-16-34-65-63(50)64;1-5-14-41(15-6-1)53-35-49(36-54(61-53)42-16-7-2-8-17-42)47-32-46(39-23-25-40(26-24-39)51-29-31-60-58-52(51)28-27-45-22-13-30-59-57(45)58)33-48(34-47)50-37-55(43-18-9-3-10-19-43)62-56(38-50)44-20-11-4-12-21-44/h1-42H;1-38H
InChIKeySIQUWBMNLHDTGO-UHFFFAOYSA-N
MW1658.04 g/mol
LogP31.49
Rot. Bonds17

About 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline

4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline (PubChem CID 160846068) has the molecular formula C122H80N8 and a molecular weight of 1658.04 g/mol. Its IUPAC name is 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
PubChem CID160846068
Molecular FormulaC122H80N8
Molecular Weight1658.04 g/mol
Exact Mass1656.65
IUPAC Name4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc6c5ccc5cccnc56)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H42N4.C58H38N4/c1-6-17-45(18-7-1)58-38-54(39-59(66-58)46-19-8-2-9-20-46)52-35-51(36-53(37-52)55-40-60(47-21-10-3-11-22-47)67-61(41-55)48-23-12-4-13-24-48)43-28-30-44(31-29-43)57-42-62(49-25-14-5-15-26-49)68-64-56(57)33-32-50-27-16-34-65-63(50)64;1-5-14-41(15-6-1)53-35-49(36-54(61-53)42-16-7-2-8-17-42)47-32-46(39-23-25-40(26-24-39)51-29-31-60-58-52(51)28-27-45-22-13-30-59-57(45)58)33-48(34-47)50-37-55(43-18-9-3-10-19-43)62-56(38-50)44-20-11-4-12-21-44/h1-42H;1-38H
InChIKeySIQUWBMNLHDTGO-UHFFFAOYSA-N
XLogP31.49
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001658.04
LogP ≤ 531.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline with MolForge

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Related Compounds

2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 167110208
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213
4-[4-[4-[3,5-bis(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 155336923
4-[4-[7-[7-(3,5-diphenylphenyl)quinolin-2-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164779323
4,7-bis(4-isoquinolin-3-ylphenyl)-2-phenyl-1,10-phenanthroline
CID 144839385
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
4-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]-2,7-diphenyl-1,10-phenanthroline
CID 155336974
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
CID 70909452
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline?
The IUPAC name of 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline (CID 160846068) is 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline.
What is the SMILES notation for 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline?
The canonical SMILES for 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline is c1ccc(-c2cc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc6c5ccc5cccnc56)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline?
The InChIKey is SIQUWBMNLHDTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4.C58H38N4/c1-6-17-45(18-7-1)58-38-54(39-59(66-58)46-19-8-2-9-20-46)52-35-51(36-53(37-52)55-40-60(47-21-10-3-11-22-47)67-61(41-55)48-23-12-4-13-24-48)43-28-30-44(31-29-43)57-42-62(49-25-14-5-15-26-49)68-64-56(57)33-32-50-27-16-34-65-63(50)64;1-5-14-41(15-6-1)53-35-49(36-54(61-53)42-16-7-2-8-17-42)47-32-46(39-23-25-40(26-24-39)51-29-31-60-58-52(51)28-27-45-22-13-30-59-57(45)58)33-48(34-47)50-37-55(43-18-9-3-10-19-43)62-56(38-50)44-20-11-4-12-21-44/h1-42H;1-38H.
What are the key properties of 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline?
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline has a molecular weight of 1658.04 g/mol, XLogP of 31.49, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline is sourced from PubChem (CID 160846068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).