4-benzyl-7-phenyl-1,10-phenanthroline

C25H18N2 — CID 142216618

IUPAC4-benzyl-7-phenyl-1,10-phenanthroline
SMILESc1ccc(Cc2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H18N2/c1-3-7-18(8-4-1)17-20-13-15-26-24-22(20)11-12-23-21(14-16-27-25(23)24)19-9-5-2-6-10-19/h1-16H,17H2
InChIKeyWNZGVABOEWKOSP-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.04
Rot. Bonds3

About 4-benzyl-7-phenyl-1,10-phenanthroline

4-benzyl-7-phenyl-1,10-phenanthroline (PubChem CID 142216618) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-benzyl-7-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-benzyl-7-phenyl-1,10-phenanthroline
PubChem CID142216618
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name4-benzyl-7-phenyl-1,10-phenanthroline
SMILESc1ccc(Cc2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H18N2/c1-3-7-18(8-4-1)17-20-13-15-26-24-22(20)11-12-23-21(14-16-27-25(23)24)19-9-5-2-6-10-19/h1-16H,17H2
InChIKeyWNZGVABOEWKOSP-UHFFFAOYSA-N
XLogP6.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
CID 173166760
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
4-bromo-7-phenyl-1,10-phenanthroline
CID 18759599
4-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]aniline
CID 102574675
copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
CID 158177227
dichloro(diethyl)stannane;4,7-diphenyl-1,10-phenanthroline
CID 4574299
4-[4-[4-[9-benzyl-8-(2-benzylphenyl)phenanthridin-6-yl]phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166987984
4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline
CID 121420323

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-phenyl-1,10-phenanthroline?
The IUPAC name of 4-benzyl-7-phenyl-1,10-phenanthroline (CID 142216618) is 4-benzyl-7-phenyl-1,10-phenanthroline.
What is the SMILES notation for 4-benzyl-7-phenyl-1,10-phenanthroline?
The canonical SMILES for 4-benzyl-7-phenyl-1,10-phenanthroline is c1ccc(Cc2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4-benzyl-7-phenyl-1,10-phenanthroline?
The InChIKey is WNZGVABOEWKOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-3-7-18(8-4-1)17-20-13-15-26-24-22(20)11-12-23-21(14-16-27-25(23)24)19-9-5-2-6-10-19/h1-16H,17H2.
What are the key properties of 4-benzyl-7-phenyl-1,10-phenanthroline?
4-benzyl-7-phenyl-1,10-phenanthroline has a molecular weight of 346.43 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-phenyl-1,10-phenanthroline is sourced from PubChem (CID 142216618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).