9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene

C36H38 — CID 143236459

IUPAC9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene
SMILESC=C(C)CCCCCCCc1ccc(-c2c3ccccc3c(C3=CC=CCC3)c3ccccc23)cc1
InChIInChI=1S/C36H38/c1-27(2)15-7-4-3-5-8-16-28-23-25-30(26-24-28)36-33-21-13-11-19-31(33)35(29-17-9-6-10-18-29)32-20-12-14-22-34(32)36/h6,9,11-14,17,19-26H,1,3-5,7-8,10,15-16,18H2,2H3
InChIKeyDYJDCGZJYWPOTB-UHFFFAOYSA-N
MW470.70 g/mol
LogP10.85
Rot. Bonds10

About 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene

9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene (PubChem CID 143236459) has the molecular formula C36H38 and a molecular weight of 470.70 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene
PubChem CID143236459
Molecular FormulaC36H38
Molecular Weight470.70 g/mol
Exact Mass470.30
IUPAC Name9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene
SMILESC=C(C)CCCCCCCc1ccc(-c2c3ccccc3c(C3=CC=CCC3)c3ccccc23)cc1
InChIInChI=1S/C36H38/c1-27(2)15-7-4-3-5-8-16-28-23-25-30(26-24-28)36-33-21-13-11-19-31(33)35(29-17-9-6-10-18-29)32-20-12-14-22-34(32)36/h6,9,11-14,17,19-26H,1,3-5,7-8,10,15-16,18H2,2H3
InChIKeyDYJDCGZJYWPOTB-UHFFFAOYSA-N
XLogP10.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
CID 153328373
6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-13-(4-phenylphenyl)pentacene
CID 164763728
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
6-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163460891
2-cyclohexa-1,3-dien-1-yl-7-decyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 118881601
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766421
CID 174020028
CID 174020028
9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
CID 59101775
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 130225797
1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene
CID 145340700
3-[(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)methyl]phenanthrene
CID 123966745
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 166690234

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene (CID 143236459) is 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene is C=C(C)CCCCCCCc1ccc(-c2c3ccccc3c(C3=CC=CCC3)c3ccccc23)cc1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene?
The InChIKey is DYJDCGZJYWPOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38/c1-27(2)15-7-4-3-5-8-16-28-23-25-30(26-24-28)36-33-21-13-11-19-31(33)35(29-17-9-6-10-18-29)32-20-12-14-22-34(32)36/h6,9,11-14,17,19-26H,1,3-5,7-8,10,15-16,18H2,2H3.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene?
9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene has a molecular weight of 470.70 g/mol, XLogP of 10.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-10-[4-(8-methylnon-8-enyl)phenyl]anthracene is sourced from PubChem (CID 143236459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).