5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline

C70H44N6 — CID 130287672

IUPAC5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7ccncc7c7ncccc67)cc5)c4)c3)cc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C70H44N6/c1-2-11-49(12-3-1)70-75-65(57-19-6-17-54(39-57)52-15-4-13-50(37-52)45-24-28-47(29-25-45)62-41-56-32-36-71-44-64(56)68-60(62)22-9-34-73-68)43-66(76-70)58-20-7-18-55(40-58)53-16-5-14-51(38-53)46-26-30-48(31-27-46)63-42-59-21-8-33-72-67(59)69-61(63)23-10-35-74-69/h1-44H
InChIKeyYHENJEQGRNEDGH-UHFFFAOYSA-N
MW969.16 g/mol
LogP17.67
Rot. Bonds9

About 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline

5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline (PubChem CID 130287672) has the molecular formula C70H44N6 and a molecular weight of 969.16 g/mol. Its IUPAC name is 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
PubChem CID130287672
Molecular FormulaC70H44N6
Molecular Weight969.16 g/mol
Exact Mass968.36
IUPAC Name5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7ccncc7c7ncccc67)cc5)c4)c3)cc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C70H44N6/c1-2-11-49(12-3-1)70-75-65(57-19-6-17-54(39-57)52-15-4-13-50(37-52)45-24-28-47(29-25-45)62-41-56-32-36-71-44-64(56)68-60(62)22-9-34-73-68)43-66(76-70)58-20-7-18-55(40-58)53-16-5-14-51(38-53)46-26-30-48(31-27-46)63-42-59-21-8-33-72-67(59)69-61(63)23-10-35-74-69/h1-44H
InChIKeyYHENJEQGRNEDGH-UHFFFAOYSA-N
XLogP17.67
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.16
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline (CID 130287672) is 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7ccncc7c7ncccc67)cc5)c4)c3)cc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)n2)cc1.
What is the InChIKey of 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is YHENJEQGRNEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N6/c1-2-11-49(12-3-1)70-75-65(57-19-6-17-54(39-57)52-15-4-13-50(37-52)45-24-28-47(29-25-45)62-41-56-32-36-71-44-64(56)68-60(62)22-9-34-73-68)43-66(76-70)58-20-7-18-55(40-58)53-16-5-14-51(38-53)46-26-30-48(31-27-46)63-42-59-21-8-33-72-67(59)69-61(63)23-10-35-74-69/h1-44H.
What are the key properties of 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 969.16 g/mol, XLogP of 17.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[3-[6-[3-[3-[4-(1,9-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 130287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).