(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene

C58H58 — CID 143532325

IUPAC(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene
SMILESC/C(=C1C(=C(\C2=CCCC=C2)c2ccccc2)\c2cccc3c(-c4ccc(C)cc4)ccc\1c23)c1ccccc1.CC.CC.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C40H32.C14H14.2C2H6/c1-27-21-23-30(24-22-27)33-25-26-36-37(28(2)29-13-6-3-7-14-29)40(35-20-12-19-34(33)39(35)36)38(31-15-8-4-9-16-31)32-17-10-5-11-18-32;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;2*1-2/h3-4,6-10,12-26H,5,11H2,1-2H3;3-10H,1-2H3;2*1-2H3/b37-28+,40-38+;;;
InChIKeyDMQWNLVLXODWPY-VLUDQLLWSA-N
MW755.10 g/mol
LogP16.97
Rot. Bonds5

About (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene

(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene (PubChem CID 143532325) has the molecular formula C58H58 and a molecular weight of 755.10 g/mol. Its IUPAC name is (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Name(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene
PubChem CID143532325
Molecular FormulaC58H58
Molecular Weight755.10 g/mol
Exact Mass754.45
IUPAC Name(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene
SMILESC/C(=C1C(=C(\C2=CCCC=C2)c2ccccc2)\c2cccc3c(-c4ccc(C)cc4)ccc\1c23)c1ccccc1.CC.CC.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C40H32.C14H14.2C2H6/c1-27-21-23-30(24-22-27)33-25-26-36-37(28(2)29-13-6-3-7-14-29)40(35-20-12-19-34(33)39(35)36)38(31-15-8-4-9-16-31)32-17-10-5-11-18-32;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;2*1-2/h3-4,6-10,12-26H,5,11H2,1-2H3;3-10H,1-2H3;2*1-2H3/b37-28+,40-38+;;;
InChIKeyDMQWNLVLXODWPY-VLUDQLLWSA-N
XLogP16.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.10
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene with MolForge

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Related Compounds

8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
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1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
CID 140884240
7-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)-2-methyl-1-(2-methylphenyl)naphthalene
CID 145064111
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747
4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
CID 134228987
N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene
CID 144579180
ethane;2-methylcyclohexa-1,3-diene;[8-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-yl]-(3-phenylphenyl)methanimine
CID 142352880
1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
CID 142890408
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
(3-benzoyl-5-methylphenyl)-cyclohexa-1,5-dien-1-ylmethanone
CID 144619671
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CID 91033625

Frequently Asked Questions

What is the IUPAC name of (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene (CID 143532325) is (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene is C/C(=C1C(=C(\C2=CCCC=C2)c2ccccc2)\c2cccc3c(-c4ccc(C)cc4)ccc\1c23)c1ccccc1.CC.CC.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene?
The InChIKey is DMQWNLVLXODWPY-VLUDQLLWSA-N. The full InChI is InChI=1S/C40H32.C14H14.2C2H6/c1-27-21-23-30(24-22-27)33-25-26-36-37(28(2)29-13-6-3-7-14-29)40(35-20-12-19-34(33)39(35)36)38(31-15-8-4-9-16-31)32-17-10-5-11-18-32;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;2*1-2/h3-4,6-10,12-26H,5,11H2,1-2H3;3-10H,1-2H3;2*1-2H3/b37-28+,40-38+;;;.
What are the key properties of (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene?
(1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene has a molecular weight of 755.10 g/mol, XLogP of 16.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E)-1-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]-5-(4-methylphenyl)-2-(1-phenylethylidene)acenaphthylene;ethane;1-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 143532325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).