2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline

C39H25N3 — CID 176785200

IUPAC2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc3cccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c3c(-c3ccccc3)n2)cc1
InChIInChI=1S/C39H25N3/c1-4-11-26(12-5-1)33-23-21-29-19-20-30-22-24-34(41-39(30)38(29)40-33)32-18-10-17-31-25-35(27-13-6-2-7-14-27)42-37(36(31)32)28-15-8-3-9-16-28/h1-25H
InChIKeyJZTHPKIDSIZWLM-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline

2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 176785200) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline
PubChem CID176785200
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc3cccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c3c(-c3ccccc3)n2)cc1
InChIInChI=1S/C39H25N3/c1-4-11-26(12-5-1)33-23-21-29-19-20-30-22-24-34(41-39(30)38(29)40-33)32-18-10-17-31-25-35(27-13-6-2-7-14-27)42-37(36(31)32)28-15-8-3-9-16-28/h1-25H
InChIKeyJZTHPKIDSIZWLM-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-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
CID 176785134
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-phenyl-9-(4-pyren-4-ylphenyl)-1,10-phenanthroline
CID 154932795
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-phenyl-9-[3-(1,3,4-triphenylbenzo[g]indazol-9-yl)phenyl]-1,10-phenanthroline
CID 170441624
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167418

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline (CID 176785200) is 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2cc3cccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)c3c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is JZTHPKIDSIZWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-4-11-26(12-5-1)33-23-21-29-19-20-30-22-24-34(41-39(30)38(29)40-33)32-18-10-17-31-25-35(27-13-6-2-7-14-27)42-37(36(31)32)28-15-8-3-9-16-28/h1-25H.
What are the key properties of 2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline?
2-(1,3-diphenylisoquinolin-8-yl)-9-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-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 176785200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).