2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline

C29H26N2 — CID 142200622

IUPAC2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
SMILESCCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(CC)nc3c2n1
InChIInChI=1S/C29H26N2/c1-3-11-23-19-27(21-14-9-6-10-15-21)25-17-16-24-26(20-12-7-5-8-13-20)18-22(4-2)30-28(24)29(25)31-23/h5-10,12-19H,3-4,11H2,1-2H3
InChIKeyZPOMQPWJPDCNHT-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.63
Rot. Bonds5

About 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline

2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline (PubChem CID 142200622) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
PubChem CID142200622
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Name2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
SMILESCCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(CC)nc3c2n1
InChIInChI=1S/C29H26N2/c1-3-11-23-19-27(21-14-9-6-10-15-21)25-17-16-24-26(20-12-7-5-8-13-20)18-22(4-2)30-28(24)29(25)31-23/h5-10,12-19H,3-4,11H2,1-2H3
InChIKeyZPOMQPWJPDCNHT-UHFFFAOYSA-N
XLogP7.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.63
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-2-propyl-1,10-phenanthroline
CID 123268572
4-phenyl-2-propylquinoline
CID 145370518
4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
CID 171419102
[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
CID 19783563
2,9-bis(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
CID 174365415
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline
CID 23405089
2,9-bis(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline?
The IUPAC name of 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline (CID 142200622) is 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline.
What is the SMILES notation for 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline?
The canonical SMILES for 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline is CCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(CC)nc3c2n1.
What is the InChIKey of 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline?
The InChIKey is ZPOMQPWJPDCNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2/c1-3-11-23-19-27(21-14-9-6-10-15-21)25-17-16-24-26(20-12-7-5-8-13-20)18-22(4-2)30-28(24)29(25)31-23/h5-10,12-19H,3-4,11H2,1-2H3.
What are the key properties of 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline?
2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline has a molecular weight of 402.54 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline is sourced from PubChem (CID 142200622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).