4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline

C34H28N2 — CID 171419102

IUPAC4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
SMILESCCc1ccc2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(CC)nc3c2n1
InChIInChI=1S/C34H28N2/c1-3-29-17-15-25-16-18-31-32(22-30(4-2)36-34(31)33(25)35-29)28-20-26(23-11-7-5-8-12-23)19-27(21-28)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3
InChIKeySZZSCJBFIZFTNQ-UHFFFAOYSA-N
MW464.61 g/mol
LogP8.91
Rot. Bonds5

About 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline

4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline (PubChem CID 171419102) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
PubChem CID171419102
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
SMILESCCc1ccc2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(CC)nc3c2n1
InChIInChI=1S/C34H28N2/c1-3-29-17-15-25-16-18-31-32(22-30(4-2)36-34(31)33(25)35-29)28-20-26(23-11-7-5-8-12-23)19-27(21-28)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3
InChIKeySZZSCJBFIZFTNQ-UHFFFAOYSA-N
XLogP8.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 58.91
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
[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
CID 19783563
9-ethyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;9-methyl-4-phenyl-2-[4-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158810780
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 167110208
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
1,7-diethyl-4-phenyl-1,8-naphthyridin-2-one
CID 11000389
2,9-dicyclohexyl-4-(3,5-diphenylphenyl)-1,10-phenanthroline
CID 171419070
7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
CID 174365415
4,7-diphenyl-2-propyl-1,10-phenanthroline
CID 123268572
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
6-chloro-2-ethyl-4-phenylquinoline
CID 622532

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline?
The IUPAC name of 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline (CID 171419102) is 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline?
The canonical SMILES for 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline is CCc1ccc2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(CC)nc3c2n1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline?
The InChIKey is SZZSCJBFIZFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-3-29-17-15-25-16-18-31-32(22-30(4-2)36-34(31)33(25)35-29)28-20-26(23-11-7-5-8-12-23)19-27(21-28)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3.
What are the key properties of 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline?
4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline has a molecular weight of 464.61 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline is sourced from PubChem (CID 171419102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).