9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene

C41H34 — CID 123142036

IUPAC9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene
SMILESC=CC=CCC1C=C(c2ccccc2)C=C(c2c3ccccc3c(-c3cccc4c3=CCCC=4)c3ccccc23)C1
InChIInChI=1S/C41H34/c1-2-3-5-15-29-26-32(30-16-6-4-7-17-30)28-33(27-29)40-36-21-10-12-23-38(36)41(39-24-13-11-22-37(39)40)35-25-14-19-31-18-8-9-20-34(31)35/h2-7,10-14,16-26,28-29H,1,8-9,15,27H2
InChIKeyZUBJIZIOMZYXBK-UHFFFAOYSA-N
MW526.72 g/mol
LogP9.63
Rot. Bonds6

About 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene

9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene (PubChem CID 123142036) has the molecular formula C41H34 and a molecular weight of 526.72 g/mol. Its IUPAC name is 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene.

Molecular Properties

Compound Name9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene
PubChem CID123142036
Molecular FormulaC41H34
Molecular Weight526.72 g/mol
Exact Mass526.27
IUPAC Name9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene
SMILESC=CC=CCC1C=C(c2ccccc2)C=C(c2c3ccccc3c(-c3cccc4c3=CCCC=4)c3ccccc23)C1
InChIInChI=1S/C41H34/c1-2-3-5-15-29-26-32(30-16-6-4-7-17-30)28-33(27-29)40-36-21-10-12-23-38(36)41(39-24-13-11-22-37(39)40)35-25-14-19-31-18-8-9-20-34(31)35/h2-7,10-14,16-26,28-29H,1,8-9,15,27H2
InChIKeyZUBJIZIOMZYXBK-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene 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

9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
9-(5-hexa-1,3,5-trien-3-yl-3-phenylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-4a,9a-dihydroanthracene
CID 123946931
7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89298312
5-(fluoromethyl)-2,3-dihydronaphthalene
CID 89153592
1-buta-1,3-dienyl-2-phenylbenzene
CID 54164854
2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
CID 143986271
1,6-bis(10-phenylanthracen-9-yl)pyrene;methane;(3Z)-penta-1,3-diene
CID 143092811
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene
CID 143250611
3-(5-cyclohexa-1,5-dien-1-yl-3-phenylcyclohexa-1,3-dien-1-yl)-6-(3,5-diphenylphenyl)-9,10-bis(ethenyl)phenanthrene
CID 143743279
6-[12-[4-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-2,3-dihydrobenzo[10]annulen-5-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212932

Frequently Asked Questions

What is the IUPAC name of 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene?
The IUPAC name of 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene (CID 123142036) is 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene.
What is the SMILES notation for 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene?
The canonical SMILES for 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene is C=CC=CCC1C=C(c2ccccc2)C=C(c2c3ccccc3c(-c3cccc4c3=CCCC=4)c3ccccc23)C1.
What is the InChIKey of 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene?
The InChIKey is ZUBJIZIOMZYXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34/c1-2-3-5-15-29-26-32(30-16-6-4-7-17-30)28-33(27-29)40-36-21-10-12-23-38(36)41(39-24-13-11-22-37(39)40)35-25-14-19-31-18-8-9-20-34(31)35/h2-7,10-14,16-26,28-29H,1,8-9,15,27H2.
What are the key properties of 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene?
9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene has a molecular weight of 526.72 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,7-dihydronaphthalen-1-yl)-10-(5-penta-2,4-dienyl-3-phenylcyclohexa-1,3-dien-1-yl)anthracene is sourced from PubChem (CID 123142036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).