9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene

C32H22 — CID 123196573

IUPAC9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene
SMILESC1=CC=Cc2c(cccc2-c2c3ccccc3c(C3=CCC=CC=C3)c3ccccc23)C=1
InChIInChI=1S/C32H22/c1-2-5-15-24(14-4-1)31-27-18-8-10-20-29(27)32(30-21-11-9-19-28(30)31)26-22-12-16-23-13-6-3-7-17-25(23)26/h1-4,7-22H,5H2
InChIKeyMOWWJGIGSIGRJC-UHFFFAOYSA-N
MW406.53 g/mol
LogP8.75
Rot. Bonds2

About 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene

9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene (PubChem CID 123196573) has the molecular formula C32H22 and a molecular weight of 406.53 g/mol. Its IUPAC name is 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene.

Molecular Properties

Compound Name9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene
PubChem CID123196573
Molecular FormulaC32H22
Molecular Weight406.53 g/mol
Exact Mass406.17
IUPAC Name9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene
SMILESC1=CC=Cc2c(cccc2-c2c3ccccc3c(C3=CCC=CC=C3)c3ccccc23)C=1
InChIInChI=1S/C32H22/c1-2-5-15-24(14-4-1)31-27-18-8-10-20-29(27)32(30-21-11-9-19-28(30)31)26-22-12-16-23-13-6-3-7-17-25(23)26/h1-4,7-22H,5H2
InChIKeyMOWWJGIGSIGRJC-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene 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-cyclohepta-1,4,6-trien-1-ylaniline
CID 134382260
1-cyclohepta-1,4,6-trien-1-yldibenzothiophene
CID 145078987
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203
2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
CID 123370354
4-cyclohepta-1,4,6-trien-1-yl-6-[10-[[3-(4-hydroxyphenyl)dibenzofuran-1-yl]methyl]anthracen-9-yl]benzene-1,2,3,5-tetrol
CID 170276412
cyclohepta[b][1]benzofuran
CID 145276240
6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726246
2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
CID 154692605
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 143043863
4-cyclohepta-1,4,6-trien-1-yl-2-(9,9-dimethyl-6'-phenanthren-3-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyridine
CID 155475816

Frequently Asked Questions

What is the IUPAC name of 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene?
The IUPAC name of 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene (CID 123196573) is 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene.
What is the SMILES notation for 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene?
The canonical SMILES for 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene is C1=CC=Cc2c(cccc2-c2c3ccccc3c(C3=CCC=CC=C3)c3ccccc23)C=1.
What is the InChIKey of 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene?
The InChIKey is MOWWJGIGSIGRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22/c1-2-5-15-24(14-4-1)31-27-18-8-10-20-29(27)32(30-21-11-9-19-28(30)31)26-22-12-16-23-13-6-3-7-17-25(23)26/h1-4,7-22H,5H2.
What are the key properties of 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene?
9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene has a molecular weight of 406.53 g/mol, XLogP of 8.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[7]annulen-1-yl-10-cyclohepta-1,4,6-trien-1-ylanthracene is sourced from PubChem (CID 123196573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).