7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline

C27H24N2 — CID 174365415

IUPAC7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
SMILESCCc1cc(-c2ccccc2)c2ccc3c(C4=CCCC=C4)cc(C)nc3c2n1
InChIInChI=1S/C27H24N2/c1-3-21-17-25(20-12-8-5-9-13-20)23-15-14-22-24(19-10-6-4-7-11-19)16-18(2)28-26(22)27(23)29-21/h5-6,8-17H,3-4,7H2,1-2H3
InChIKeyWZSDQMFENXAVHL-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.05
Rot. Bonds3

About 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline

7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline (PubChem CID 174365415) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
PubChem CID174365415
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
SMILESCCc1cc(-c2ccccc2)c2ccc3c(C4=CCCC=C4)cc(C)nc3c2n1
InChIInChI=1S/C27H24N2/c1-3-21-17-25(20-12-8-5-9-13-20)23-15-14-22-24(19-10-6-4-7-11-19)16-18(2)28-26(22)27(23)29-21/h5-6,8-17H,3-4,7H2,1-2H3
InChIKeyWZSDQMFENXAVHL-UHFFFAOYSA-N
XLogP7.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-dimethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenyl-1,10-phenanthroline
CID 146321201
2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
CID 142200622
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
CID 19783563
4-[3-[6-cyclohexa-1,5-dien-1-yl-2-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]-2-ethyl-1,10-phenanthroline
CID 156555998
4-(3,5-diphenylphenyl)-2,9-diethyl-1,10-phenanthroline
CID 171419102
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
4-[6-[6-(9-cyclohexa-1,5-dien-1-yl-2,7-diphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
CID 91164569
disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;methanesulfonate;hydrate
CID 154701020
2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
CID 71202847
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;sulfo hydrogen sulfate
CID 69027063

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline?
The IUPAC name of 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline (CID 174365415) is 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline.
What is the SMILES notation for 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline?
The canonical SMILES for 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline is CCc1cc(-c2ccccc2)c2ccc3c(C4=CCCC=C4)cc(C)nc3c2n1.
What is the InChIKey of 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline?
The InChIKey is WZSDQMFENXAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-3-21-17-25(20-12-8-5-9-13-20)23-15-14-22-24(19-10-6-4-7-11-19)16-18(2)28-26(22)27(23)29-21/h5-6,8-17H,3-4,7H2,1-2H3.
What are the key properties of 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline?
7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline has a molecular weight of 376.50 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline is sourced from PubChem (CID 174365415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).