benzene;1,2,3,4-tetrahydrochrysene

C24H22 — CID 174248896

IUPACbenzene;1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1
InChIInChI=1S/C18H16.C6H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1/h1,3,5,7,9-12H,2,4,6,8H2;1-6H
InChIKeyLJMPESSFNJXZSZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.56
Rot. Bonds

About benzene;1,2,3,4-tetrahydrochrysene

benzene;1,2,3,4-tetrahydrochrysene (PubChem CID 174248896) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is benzene;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namebenzene;1,2,3,4-tetrahydrochrysene
PubChem CID174248896
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Namebenzene;1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1
InChIInChI=1S/C18H16.C6H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1/h1,3,5,7,9-12H,2,4,6,8H2;1-6H
InChIKeyLJMPESSFNJXZSZ-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzene;1,2,3,4-tetrahydrochrysene 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

benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
CID 174884926
CID 174884926
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188
phthalic acid;1,2,3,4-tetrahydrochrysene
CID 174257293
piperazine;1,2,3,4-tetrahydrochrysene;hydrobromide
CID 174879452
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
benzo[e][2]benzofuran;1,2,3,4-tetrahydrochrysene
CID 174838416
furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride
CID 174556475
ethene;1,2,3,4-tetrahydrochrysene;thiophene
CID 174759150
sodium;furan;hydride;1,2,3,4-tetrahydrochrysene
CID 174855997

Frequently Asked Questions

What is the IUPAC name of benzene;1,2,3,4-tetrahydrochrysene?
The IUPAC name of benzene;1,2,3,4-tetrahydrochrysene (CID 174248896) is benzene;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for benzene;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for benzene;1,2,3,4-tetrahydrochrysene is c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1.
What is the InChIKey of benzene;1,2,3,4-tetrahydrochrysene?
The InChIKey is LJMPESSFNJXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C6H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1/h1,3,5,7,9-12H,2,4,6,8H2;1-6H.
What are the key properties of benzene;1,2,3,4-tetrahydrochrysene?
benzene;1,2,3,4-tetrahydrochrysene has a molecular weight of 310.44 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174248896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).