2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline

C39H25N3 — CID 171732288

IUPAC2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccccc7cc6-c6ccccc6)c5)nc4c3n2)cc1
InChIInChI=1S/C39H25N3/c1-3-10-26(11-4-1)33-25-31-14-7-8-17-34(31)40-37(33)32-16-9-15-30(24-32)36-23-21-29-19-18-28-20-22-35(27-12-5-2-6-13-27)41-38(28)39(29)42-36/h1-25H
InChIKeyRKHQDNGJHOPDEV-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline

2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 171732288) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID171732288
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccccc7cc6-c6ccccc6)c5)nc4c3n2)cc1
InChIInChI=1S/C39H25N3/c1-3-10-26(11-4-1)33-25-31-14-7-8-17-34(31)40-37(33)32-16-9-15-30(24-32)36-23-21-29-19-18-28-20-22-35(27-12-5-2-6-13-27)41-38(28)39(29)42-36/h1-25H
InChIKeyRKHQDNGJHOPDEV-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-(3-acridin-9-ylphenyl)-9-(3-naphthalen-1-ylphenyl)-1,10-phenanthroline
CID 134167787
2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
CID 171732224
2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785222
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
CID 176785134
2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 176785151
2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165106685
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline (CID 171732288) is 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccccc7cc6-c6ccccc6)c5)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is RKHQDNGJHOPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-3-10-26(11-4-1)33-25-31-14-7-8-17-34(31)40-37(33)32-16-9-15-30(24-32)36-23-21-29-19-18-28-20-22-35(27-12-5-2-6-13-27)41-38(28)39(29)42-36/h1-25H.
What are the key properties of 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline?
2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 171732288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).