3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline

C46H28N4 — CID 171460024

IUPAC3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2cc(-c3cnc4c(ccc5cccnc54)c3)cc(-c3cccc4cccnc34)n2)c1
InChIInChI=1S/C46H28N4/c1-2-13-39-29(7-1)15-16-30-17-19-34(25-41(30)39)33-9-3-10-35(23-33)42-26-37(27-43(50-42)40-14-4-8-31-11-5-21-47-44(31)40)38-24-36-20-18-32-12-6-22-48-45(32)46(36)49-28-38/h1-28H
InChIKeySDNMEBNPCPBGIH-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.70
Rot. Bonds4

About 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline

3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline (PubChem CID 171460024) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
PubChem CID171460024
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2cc(-c3cnc4c(ccc5cccnc54)c3)cc(-c3cccc4cccnc34)n2)c1
InChIInChI=1S/C46H28N4/c1-2-13-39-29(7-1)15-16-30-17-19-34(25-41(30)39)33-9-3-10-35(23-33)42-26-37(27-43(50-42)40-14-4-8-31-11-5-21-47-44(31)40)38-24-36-20-18-32-12-6-22-48-45(32)46(36)49-28-38/h1-28H
InChIKeySDNMEBNPCPBGIH-UHFFFAOYSA-N
XLogP11.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.70
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-[6-(8-naphthalen-1-ylphenanthren-3-yl)naphthalen-2-yl]-1,10-phenanthroline;2-phenanthren-2-yl-4,6-di(triphenylen-2-yl)pyridine;2-phenanthren-2-yl-4,6-di(triphenylen-2-yl)pyrimidine;2-phenanthren-2-yl-4,6-di(triphenylen-2-yl)-1,3,5-triazine;2-phenanthren-2-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 157409062
3-(3-chrysen-6-yl-5-quinolin-8-ylphenyl)-1,10-phenanthroline
CID 171459902
3-[3,8-bis(3-quinolin-6-ylphenyl)phenanthren-1-yl]-8-[3-[1-(3-quinolin-8-ylphenyl)phenanthren-3-yl]phenyl]quinoline
CID 137458731
3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
CID 171459977
3-[4-(2-dibenzofuran-3-yl-6-isoquinolin-8-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 171459774
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
CID 176728682
3-[4-(3-cinnolin-8-yl-5-dibenzofuran-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459864
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
13-[3-(4-quinolin-8-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134453283
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline (CID 171460024) is 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline is c1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2cc(-c3cnc4c(ccc5cccnc54)c3)cc(-c3cccc4cccnc34)n2)c1.
What is the InChIKey of 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline?
The InChIKey is SDNMEBNPCPBGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-13-39-29(7-1)15-16-30-17-19-34(25-41(30)39)33-9-3-10-35(23-33)42-26-37(27-43(50-42)40-14-4-8-31-11-5-21-47-44(31)40)38-24-36-20-18-32-12-6-22-48-45(32)46(36)49-28-38/h1-28H.
What are the key properties of 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline?
3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline has a molecular weight of 636.76 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 171460024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).