1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene

C35H24 — CID 22250706

IUPAC1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene
SMILESC1=C(c2cccc3ccccc23)CC(c2cccc3ccccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C35H24/c1-4-16-28-24(10-1)13-7-19-31(28)27-22-34(32-20-8-14-25-11-2-5-17-29(25)32)35(23-27)33-21-9-15-26-12-3-6-18-30(26)33/h1-22H,23H2
InChIKeyCHRUGJVACRGUOS-UHFFFAOYSA-N
MW444.58 g/mol
LogP9.54
Rot. Bonds3

About 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene

1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene (PubChem CID 22250706) has the molecular formula C35H24 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene.

Molecular Properties

Compound Name1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene
PubChem CID22250706
Molecular FormulaC35H24
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Name1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene
SMILESC1=C(c2cccc3ccccc23)CC(c2cccc3ccccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C35H24/c1-4-16-28-24(10-1)13-7-19-31(28)27-22-34(32-20-8-14-25-11-2-5-17-29(25)32)35(23-27)33-21-9-15-26-12-3-6-18-30(26)33/h1-22H,23H2
InChIKeyCHRUGJVACRGUOS-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene 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

1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene
CID 161312364
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
CID 143924056
bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)
CID 173449057
4-naphthalen-1-ylcyclohex-3-en-1-one
CID 79020378
1-(3-methylcyclohexa-1,3-dien-1-yl)phenanthrene
CID 156827448
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene?
The IUPAC name of 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene (CID 22250706) is 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene.
What is the SMILES notation for 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene?
The canonical SMILES for 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene is C1=C(c2cccc3ccccc23)CC(c2cccc3ccccc23)=C1c1cccc2ccccc12.
What is the InChIKey of 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene?
The InChIKey is CHRUGJVACRGUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24/c1-4-16-28-24(10-1)13-7-19-31(28)27-22-34(32-20-8-14-25-11-2-5-17-29(25)32)35(23-27)33-21-9-15-26-12-3-6-18-30(26)33/h1-22H,23H2.
What are the key properties of 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene?
1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene has a molecular weight of 444.58 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dinaphthalen-1-ylcyclopenta-1,4-dien-1-yl)naphthalene is sourced from PubChem (CID 22250706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).