2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline

C32H24N2 — CID 175634736

IUPAC2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline
SMILESCc1ccnc2c1ccc1c(C)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc12
InChIInChI=1S/C32H24N2/c1-21-15-16-33-31-28(21)13-14-29-22(2)17-30(34-32(29)31)27-19-25(23-9-5-3-6-10-23)18-26(20-27)24-11-7-4-8-12-24/h3-20H,1-2H3
InChIKeyZWPADJPDLIOTIQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.40
Rot. Bonds3

About 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline

2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline (PubChem CID 175634736) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline
PubChem CID175634736
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline
SMILESCc1ccnc2c1ccc1c(C)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc12
InChIInChI=1S/C32H24N2/c1-21-15-16-33-31-28(21)13-14-29-22(2)17-30(34-32(29)31)27-19-25(23-9-5-3-6-10-23)18-26(20-27)24-11-7-4-8-12-24/h3-20H,1-2H3
InChIKeyZWPADJPDLIOTIQ-UHFFFAOYSA-N
XLogP8.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.40
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-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
4-ethyl-7-methyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221323
2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 167110208
4-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,7-diphenyl-1,10-phenanthroline
CID 155336393
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
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
CID 160937726
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
4-[4-(3,5-dipyridin-3-ylphenyl)naphthalen-1-yl]-2,7-diphenyl-1,10-phenanthroline
CID 155336974
4,9-dimethyl-2-[4-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;4,9-dimethyl-2-[4-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 161299726

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline?
The IUPAC name of 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline (CID 175634736) is 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline is Cc1ccnc2c1ccc1c(C)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc12.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline?
The InChIKey is ZWPADJPDLIOTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c1-21-15-16-33-31-28(21)13-14-29-22(2)17-30(34-32(29)31)27-19-25(23-9-5-3-6-10-23)18-26(20-27)24-11-7-4-8-12-24/h3-20H,1-2H3.
What are the key properties of 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline?
2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline has a molecular weight of 436.56 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline is sourced from PubChem (CID 175634736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).