4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline

C32H20N2 — CID 168853179

IUPAC4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2ccnc3c2ccc2cccnc23)c1
InChIInChI=1S/C32H20N2/c1-2-11-25-24(7-1)20-30(28-13-4-3-12-27(25)28)23-9-5-8-22(19-23)26-16-18-34-32-29(26)15-14-21-10-6-17-33-31(21)32/h1-20H
InChIKeyXHIKLQKIDKFIAU-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.42
Rot. Bonds2

About 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline

4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline (PubChem CID 168853179) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
PubChem CID168853179
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2ccnc3c2ccc2cccnc23)c1
InChIInChI=1S/C32H20N2/c1-2-11-25-24(7-1)20-30(28-13-4-3-12-27(25)28)23-9-5-8-22(19-23)26-16-18-34-32-29(26)15-14-21-10-6-17-33-31(21)32/h1-20H
InChIKeyXHIKLQKIDKFIAU-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
21-[3-[5-(1,10-phenanthrolin-4-yl)pyrimidin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146408591
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
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
22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146231307
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline (CID 168853179) is 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline is c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2ccnc3c2ccc2cccnc23)c1.
What is the InChIKey of 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline?
The InChIKey is XHIKLQKIDKFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-2-11-25-24(7-1)20-30(28-13-4-3-12-27(25)28)23-9-5-8-22(19-23)26-16-18-34-32-29(26)15-14-21-10-6-17-33-31(21)32/h1-20H.
What are the key properties of 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline?
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline has a molecular weight of 432.53 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 168853179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).