2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline

C60H38N4 — CID 167110208

IUPAC2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc5c4ccc4cccnc45)c3)cc(-c3cc(-c4ccccc4)nc4c3ccc3cccnc34)c2)cc1
InChIInChI=1S/C60H38N4/c1-5-15-39(16-6-1)45-31-47(35-49(33-45)53-37-55(41-19-9-3-10-20-41)63-59-51(53)27-25-43-23-13-29-61-57(43)59)48-32-46(40-17-7-2-8-18-40)34-50(36-48)54-38-56(42-21-11-4-12-22-42)64-60-52(54)28-26-44-24-14-30-62-58(44)60/h1-38H
InChIKeyQMROIQLPKCNBCU-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.55
Rot. Bonds7

About 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline

2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 167110208) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
PubChem CID167110208
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc5c4ccc4cccnc45)c3)cc(-c3cc(-c4ccccc4)nc4c3ccc3cccnc34)c2)cc1
InChIInChI=1S/C60H38N4/c1-5-15-39(16-6-1)45-31-47(35-49(33-45)53-37-55(41-19-9-3-10-20-41)63-59-51(53)27-25-43-23-13-29-61-57(43)59)48-32-46(40-17-7-2-8-18-40)34-50(36-48)54-38-56(42-21-11-4-12-22-42)64-60-52(54)28-26-44-24-14-30-62-58(44)60/h1-38H
InChIKeyQMROIQLPKCNBCU-UHFFFAOYSA-N
XLogP15.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
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
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-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline (CID 167110208) is 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc5c4ccc4cccnc45)c3)cc(-c3cc(-c4ccccc4)nc4c3ccc3cccnc34)c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is QMROIQLPKCNBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-5-15-39(16-6-1)45-31-47(35-49(33-45)53-37-55(41-19-9-3-10-20-41)63-59-51(53)27-25-43-23-13-29-61-57(43)59)48-32-46(40-17-7-2-8-18-40)34-50(36-48)54-38-56(42-21-11-4-12-22-42)64-60-52(54)28-26-44-24-14-30-62-58(44)60/h1-38H.
What are the key properties of 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 814.99 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 167110208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).