7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline

C24H24N2 — CID 91585435

IUPAC7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline
SMILESC1=CCC(C2=CCNC3C2=CC=C2C(C4=CCCC=C4)=CC=NC23)C=C1
InChIInChI=1S/C24H24N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1,3-5,7,9-14,16-17,23-25H,2,6,8,15H2
InChIKeyOANKQSFHRNGDMT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.54
Rot. Bonds2

About 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline

7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline (PubChem CID 91585435) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline.

Molecular Properties

Compound Name7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline
PubChem CID91585435
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline
SMILESC1=CCC(C2=CCNC3C2=CC=C2C(C4=CCCC=C4)=CC=NC23)C=C1
InChIInChI=1S/C24H24N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1,3-5,7,9-14,16-17,23-25H,2,6,8,15H2
InChIKeyOANKQSFHRNGDMT-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-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-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole
CID 67951594
N-[(E)-2-(4a,5,6,7,8,9,10,10a-octahydrophenanthren-9-yl)-5-[4-[4-(2H-pyrrol-3-yl)cyclohexen-1-yl]-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]hex-4-enyl]-4,4a,5,6-tetrahydronaphthalen-1-amine
CID 67951683
N-[2-(3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)-2-[(2E)-2-[1-[4-[5-(4-methylcyclohept-3-en-1-yl)-3,4-dihydropyridin-3-yl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]ethyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
CID 67951720
4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine
CID 70955557
N-(1,4b,8,9,10,10a,10b,12a-octahydroisoquinolino[4,3-c]isoquinolin-12-ylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 71171068
6-methyl-N-[1-[2-[[4-[6-(4-methylcyclohexa-1,3-dien-1-yl)-3a,4-dihydropyren-1-yl]cyclohexa-1,3-dien-1-yl]methylideneamino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohex-2-en-1-amine
CID 71188856
N-[2-[(2E)-2-[1-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]ethylidene]cyclohex-3-en-1-yl]-6-(3,4-dihydro-2H-pyrrol-4-yl)-3-methanimidoylhexyl]-1,2,4a,8a-tetrahydronaphthalen-2-amine
CID 88530025
N-[2-[(6E)-6-[1-[4-(1,2,3,4,4b,8a-hexahydrophenanthren-9-yl)cyclohex-2-en-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]-2-[4-(5-iminopentyl)-4,4a,5,6-tetrahydronaphthalen-1-yl]ethyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine
CID 88530124
N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine
CID 88530144
N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine
CID 88530145
N-[2-[4-(3,4,5,6,10,10a-hexahydrophenanthren-9-yl)-2,3-dihydronaphthalen-1-yl]-5-[5-[(Z)-5-iminopent-3-en-2-yl]cyclohex-2-en-1-yl]cyclohexa-2,4-dien-1-yl]-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine
CID 88530187
N-[(Z)-2-[5-[(Z)-but-1-enyl]cyclohexa-1,3-dien-1-yl]-5-[4-[(2Z,6E)-6-ethyl-1-iminoundeca-2,6-dien-2-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]cyclohexa-2,4-dien-1-amine
CID 88530218

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline?
The IUPAC name of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline (CID 91585435) is 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline.
What is the SMILES notation for 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline?
The canonical SMILES for 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline is C1=CCC(C2=CCNC3C2=CC=C2C(C4=CCCC=C4)=CC=NC23)C=C1.
What is the InChIKey of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline?
The InChIKey is OANKQSFHRNGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1,3-5,7,9-14,16-17,23-25H,2,6,8,15H2.
What are the key properties of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline?
7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline has a molecular weight of 340.47 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,2,10a,10b-tetrahydro-1,10-phenanthroline is sourced from PubChem (CID 91585435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).