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

C69H43N7 — CID 121311657

IUPAC5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C69H43N7/c1-2-12-48(13-3-1)67-74-68(57-20-6-18-53(40-57)51-16-4-14-49(38-51)44-26-30-46(31-27-44)61-42-55-22-8-34-70-63(55)65-59(61)24-10-36-72-65)76-69(75-67)58-21-7-19-54(41-58)52-17-5-15-50(39-52)45-28-32-47(33-29-45)62-43-56-23-9-35-71-64(56)66-60(62)25-11-37-73-66/h1-43H
InChIKeyCGIPGGRXGSGXMZ-UHFFFAOYSA-N
MW970.15 g/mol
LogP17.07
Rot. Bonds9

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

5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline (PubChem CID 121311657) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
PubChem CID121311657
Molecular FormulaC69H43N7
Molecular Weight970.15 g/mol
Exact Mass969.36
IUPAC Name5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C69H43N7/c1-2-12-48(13-3-1)67-74-68(57-20-6-18-53(40-57)51-16-4-14-49(38-51)44-26-30-46(31-27-44)61-42-55-22-8-34-70-63(55)65-59(61)24-10-36-72-65)76-69(75-67)58-21-7-19-54(41-58)52-17-5-15-50(39-52)45-28-32-47(33-29-45)62-43-56-23-9-35-71-64(56)66-60(62)25-11-37-73-66/h1-43H
InChIKeyCGIPGGRXGSGXMZ-UHFFFAOYSA-N
XLogP17.07
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline (CID 121311657) is 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)c4)c3)n2)cc1.
What is the InChIKey of 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is CGIPGGRXGSGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-2-12-48(13-3-1)67-74-68(57-20-6-18-53(40-57)51-16-4-14-49(38-51)44-26-30-46(31-27-44)61-42-55-22-8-34-70-63(55)65-59(61)24-10-36-72-65)76-69(75-67)58-21-7-19-54(41-58)52-17-5-15-50(39-52)45-28-32-47(33-29-45)62-43-56-23-9-35-71-64(56)66-60(62)25-11-37-73-66/h1-43H.
What are the key properties of 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline?
5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 970.15 g/mol, XLogP of 17.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[3-[4-[3-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 121311657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).