(1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)

C91H116N2 — CID 145348356

IUPAC(1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)
SMILESC/C(=N\C(=N/C(C)c1cc(C)cc(C)c1)C1=CC=CCC1)c1cc(C)cc(C)c1.C=C1/C=C\C=C/CC/C=C\CCC1=C.CC.CC.CC.CC.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C27H32N2.3C14H14.C14H18.4C2H6/c1-18-12-19(2)15-25(14-18)22(5)28-27(24-10-8-7-9-11-24)29-23(6)26-16-20(3)13-21(4)17-26;3*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-13-11-9-7-5-3-4-6-8-10-12-14(13)2;4*1-2/h7-8,10,12-17,22H,9,11H2,1-6H3;3*3-10H,1-2H3;5-9,11H,1-4,10,12H2;4*1-2H3/b28-27-,29-23+;;;;7-5-,8-6-,11-9-;;;;
InChIKeyFZGZMBHRWCEHGX-PUEDUULCSA-N
MW1237.94 g/mol
LogP27.52
Rot. Bonds7

About (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)

(1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene) (PubChem CID 145348356) has the molecular formula C91H116N2 and a molecular weight of 1237.94 g/mol. Its IUPAC name is (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene).

Molecular Properties

Compound Name(1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)
PubChem CID145348356
Molecular FormulaC91H116N2
Molecular Weight1237.94 g/mol
Exact Mass1236.91
IUPAC Name(1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)
SMILESC/C(=N\C(=N/C(C)c1cc(C)cc(C)c1)C1=CC=CCC1)c1cc(C)cc(C)c1.C=C1/C=C\C=C/CC/C=C\CCC1=C.CC.CC.CC.CC.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C27H32N2.3C14H14.C14H18.4C2H6/c1-18-12-19(2)15-25(14-18)22(5)28-27(24-10-8-7-9-11-24)29-23(6)26-16-20(3)13-21(4)17-26;3*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-13-11-9-7-5-3-4-6-8-10-12-14(13)2;4*1-2/h7-8,10,12-17,22H,9,11H2,1-6H3;3*3-10H,1-2H3;5-9,11H,1-4,10,12H2;4*1-2H3/b28-27-,29-23+;;;;7-5-,8-6-,11-9-;;;;
InChIKeyFZGZMBHRWCEHGX-PUEDUULCSA-N
XLogP27.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.94
LogP ≤ 527.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene) 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

N'-(N-benzyl-C-cyclohexa-1,3-dien-1-ylcarbonimidoyl)-6-methyl-N-methylidene-9H-fluorene-1-carboximidamide;2'-methyl-3'-(2-methylphenyl)-9,9'-spirobi[fluorene]
CID 144953469
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
(2Z,4Z)-1-cyclohexa-1,3-dien-1-yl-6-methylidene-7-[3-methyl-4-(2-methylphenyl)phenyl]-1-benzazocine
CID 144830878
1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene
CID 143759676
cyclohexa-1,3-diene;1,2-xylene
CID 159360183
(Z)-1-cyclohexa-1,3-dien-1-yl-2-(3-propan-2-ylphenyl)ethene-1,2-dithiol
CID 153336613
1-[3-[6-cyclohexa-1,3-dien-1-yl-3-methyl-2-(2-methylphenyl)-4-pyridinyl]phenyl]-N-[(Z)-(3-methylidene-4,5-dihydro-1H-inden-2-ylidene)-phenylmethyl]ethanimine
CID 145218127
1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene
CID 19967667
1-(cyclohexa-1,3-dien-1-ylmethyl)-4-(4-methylphenyl)benzene;1,4-dimethyl-2-(2-methylphenyl)benzene;ethane;toluene;1,2-xylene
CID 144810214
CID 142424749
CID 142424749
(7Z,9Z)-5-methylidene-11,12-dihydro-6H-benzo[10]annulene
CID 143121237
N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 145322219

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)?
The IUPAC name of (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene) (CID 145348356) is (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene).
What is the SMILES notation for (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)?
The canonical SMILES for (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene) is C/C(=N\C(=N/C(C)c1cc(C)cc(C)c1)C1=CC=CCC1)c1cc(C)cc(C)c1.C=C1/C=C\C=C/CC/C=C\CCC1=C.CC.CC.CC.CC.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)?
The InChIKey is FZGZMBHRWCEHGX-PUEDUULCSA-N. The full InChI is InChI=1S/C27H32N2.3C14H14.C14H18.4C2H6/c1-18-12-19(2)15-25(14-18)22(5)28-27(24-10-8-7-9-11-24)29-23(6)26-16-20(3)13-21(4)17-26;3*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-13-11-9-7-5-3-4-6-8-10-12-14(13)2;4*1-2/h7-8,10,12-17,22H,9,11H2,1-6H3;3*3-10H,1-2H3;5-9,11H,1-4,10,12H2;4*1-2H3/b28-27-,29-23+;;;;7-5-,8-6-,11-9-;;;;.
What are the key properties of (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene)?
(1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene) has a molecular weight of 1237.94 g/mol, XLogP of 27.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,7Z)-11,12-dimethylidenecyclododeca-1,3,7-triene;N'-[1-(3,5-dimethylphenyl)ethyl]-N-[1-(3,5-dimethylphenyl)ethylidene]cyclohexa-1,3-diene-1-carboximidamide;ethane;tris(1-methyl-2-(2-methylphenyl)benzene) is sourced from PubChem (CID 145348356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).