4,7-diphenyl-2-propyl-1,10-phenanthroline

C27H22N2 — CID 123268572

IUPAC4,7-diphenyl-2-propyl-1,10-phenanthroline
SMILESCCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1
InChIInChI=1S/C27H22N2/c1-2-9-21-18-25(20-12-7-4-8-13-20)24-15-14-23-22(19-10-5-3-6-11-19)16-17-28-26(23)27(24)29-21/h3-8,10-18H,2,9H2,1H3
InChIKeyKPMQGSBACVKDEA-UHFFFAOYSA-N
MW374.49 g/mol
LogP7.07
Rot. Bonds4

About 4,7-diphenyl-2-propyl-1,10-phenanthroline

4,7-diphenyl-2-propyl-1,10-phenanthroline (PubChem CID 123268572) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4,7-diphenyl-2-propyl-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-diphenyl-2-propyl-1,10-phenanthroline
PubChem CID123268572
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name4,7-diphenyl-2-propyl-1,10-phenanthroline
SMILESCCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1
InChIInChI=1S/C27H22N2/c1-2-9-21-18-25(20-12-7-4-8-13-20)24-15-14-23-22(19-10-5-3-6-11-19)16-17-28-26(23)27(24)29-21/h3-8,10-18H,2,9H2,1H3
InChIKeyKPMQGSBACVKDEA-UHFFFAOYSA-N
XLogP7.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.07
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

2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
CID 142200622
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
4-phenyl-2-propylquinoline
CID 145370518
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
CID 70909452
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
CID 19783563
dichloro(diethyl)stannane;4,7-diphenyl-1,10-phenanthroline
CID 4574299
4,7-bis(4-isoquinolin-3-ylphenyl)-2-phenyl-1,10-phenanthroline
CID 144839385
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-propyl-1,10-phenanthroline?
The IUPAC name of 4,7-diphenyl-2-propyl-1,10-phenanthroline (CID 123268572) is 4,7-diphenyl-2-propyl-1,10-phenanthroline.
What is the SMILES notation for 4,7-diphenyl-2-propyl-1,10-phenanthroline?
The canonical SMILES for 4,7-diphenyl-2-propyl-1,10-phenanthroline is CCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1.
What is the InChIKey of 4,7-diphenyl-2-propyl-1,10-phenanthroline?
The InChIKey is KPMQGSBACVKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-2-9-21-18-25(20-12-7-4-8-13-20)24-15-14-23-22(19-10-5-3-6-11-19)16-17-28-26(23)27(24)29-21/h3-8,10-18H,2,9H2,1H3.
What are the key properties of 4,7-diphenyl-2-propyl-1,10-phenanthroline?
4,7-diphenyl-2-propyl-1,10-phenanthroline has a molecular weight of 374.49 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-propyl-1,10-phenanthroline is sourced from PubChem (CID 123268572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).