4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline

C34H22N4 — CID 121420323

IUPAC4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccnc4c3ccc3c(-c5cccc(-c6ccccc6)n5)ccnc34)n2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)29-13-7-15-31(37-29)25-19-21-35-33-27(25)17-18-28-26(20-22-36-34(28)33)32-16-8-14-30(38-32)24-11-5-2-6-12-24/h1-22H
InChIKeyWINQAHMPKBJBNG-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.24
Rot. Bonds4

About 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline

4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline (PubChem CID 121420323) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline
PubChem CID121420323
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccnc4c3ccc3c(-c5cccc(-c6ccccc6)n5)ccnc34)n2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)29-13-7-15-31(37-29)25-19-21-35-33-27(25)17-18-28-26(20-22-36-34(28)33)32-16-8-14-30(38-32)24-11-5-2-6-12-24/h1-22H
InChIKeyWINQAHMPKBJBNG-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 161400463
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
7-phenylbenzo[f][4,7]phenanthroline
CID 169052915
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
4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165088310
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
4-bromo-7-phenyl-1,10-phenanthroline
CID 18759599
2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165047840
2-phenyl-9-(6-pyren-1-yl-2-pyridinyl)-1,10-phenanthroline
CID 121277741

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline (CID 121420323) is 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccnc4c3ccc3c(-c5cccc(-c6ccccc6)n5)ccnc34)n2)cc1.
What is the InChIKey of 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline?
The InChIKey is WINQAHMPKBJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-9-23(10-4-1)29-13-7-15-31(37-29)25-19-21-35-33-27(25)17-18-28-26(20-22-36-34(28)33)32-16-8-14-30(38-32)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline?
4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline is sourced from PubChem (CID 121420323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).