9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene

C39H28 — CID 144925092

IUPAC9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene
SMILESC=C/C(=C\C)c1cccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc12
InChIInChI=1S/C39H28/c1-3-26(4-2)28-21-12-23-31-30(28)22-13-25-33(31)39-36-19-9-7-17-34(36)38(35-18-8-10-20-37(35)39)32-24-11-15-27-14-5-6-16-29(27)32/h3-25H,1H2,2H3/b26-4+
InChIKeyJVVWFFMRKLVMHI-APJQVKJYSA-N
MW496.65 g/mol
LogP11.22
Rot. Bonds4

About 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene

9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene (PubChem CID 144925092) has the molecular formula C39H28 and a molecular weight of 496.65 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene
PubChem CID144925092
Molecular FormulaC39H28
Molecular Weight496.65 g/mol
Exact Mass496.22
IUPAC Name9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene
SMILESC=C/C(=C\C)c1cccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc12
InChIInChI=1S/C39H28/c1-3-26(4-2)28-21-12-23-31-30(28)22-13-25-33(31)39-36-19-9-7-17-34(36)38(35-18-8-10-20-37(35)39)32-24-11-15-27-14-5-6-16-29(27)32/h3-25H,1H2,2H3/b26-4+
InChIKeyJVVWFFMRKLVMHI-APJQVKJYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 511.22
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-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-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'-[(3E)-penta-1,3-dien-3-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 144924442
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
ethenyl-dimethyl-(10-naphthalen-1-ylanthracen-9-yl)silane
CID 123394988
9-[3-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylphenyl]-10-naphthalen-1-ylanthracene
CID 159326588
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9-[2,3-bis(ethenyl)phenyl]-10-naphthalen-1-ylanthracene
CID 90899985
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene
CID 140635953
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene (CID 144925092) is 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene is C=C/C(=C\C)c1cccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc12.
What is the InChIKey of 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene?
The InChIKey is JVVWFFMRKLVMHI-APJQVKJYSA-N. The full InChI is InChI=1S/C39H28/c1-3-26(4-2)28-21-12-23-31-30(28)22-13-25-33(31)39-36-19-9-7-17-34(36)38(35-18-8-10-20-37(35)39)32-24-11-15-27-14-5-6-16-29(27)32/h3-25H,1H2,2H3/b26-4+.
What are the key properties of 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene?
9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene has a molecular weight of 496.65 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 144925092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).