3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline

C44H28N4 — CID 171459977

IUPAC3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)cn4)cc(-c4cccc5cccnc45)c3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-2-7-29(8-3-1)30-13-15-31(16-14-30)36-24-37(40-12-4-9-32-10-5-21-45-42(32)40)26-38(25-36)41-20-19-35(27-47-41)39-23-34-18-17-33-11-6-22-46-43(33)44(34)48-28-39/h1-28H
InChIKeyLDWXYURUOQICBK-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline

3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline (PubChem CID 171459977) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
PubChem CID171459977
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)cn4)cc(-c4cccc5cccnc45)c3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-2-7-29(8-3-1)30-13-15-31(16-14-30)36-24-37(40-12-4-9-32-10-5-21-45-42(32)40)26-38(25-36)41-20-19-35(27-47-41)39-23-34-18-17-33-11-6-22-46-43(33)44(34)48-28-39/h1-28H
InChIKeyLDWXYURUOQICBK-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
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

3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-[6-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-3-pyridinyl]-1,10-phenanthroline
CID 167411895
3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
CID 171460024
3-(3-chrysen-6-yl-5-quinolin-8-ylphenyl)-1,10-phenanthroline
CID 171459902
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
3-[5-(3-dibenzothiophen-4-yl-5-quinolin-3-ylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 171459979
3-[3-(9,9-dimethylfluoren-1-yl)-5-quinolin-8-ylphenyl]-1,10-phenanthroline
CID 171459786
8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline
CID 129265610
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
4-[4-[4-[3,5-bis(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 155336923

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline (CID 171459977) is 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)cn4)cc(-c4cccc5cccnc45)c3)cc2)cc1.
What is the InChIKey of 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline?
The InChIKey is LDWXYURUOQICBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-2-7-29(8-3-1)30-13-15-31(16-14-30)36-24-37(40-12-4-9-32-10-5-21-45-42(32)40)26-38(25-36)41-20-19-35(27-47-41)39-23-34-18-17-33-11-6-22-46-43(33)44(34)48-28-39/h1-28H.
What are the key properties of 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline?
3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 171459977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).