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

C25H26 — CID 174815578

IUPACbenzene;methane;1,2,3,4-tetrahydrochrysene
SMILESC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1
InChIInChI=1S/C18H16.C6H6.CH4/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;1H4
InChIKeyWVGAJKWZUHUOOO-UHFFFAOYSA-N
MW326.48 g/mol
LogP7.19
Rot. Bonds

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

benzene;methane;1,2,3,4-tetrahydrochrysene (PubChem CID 174815578) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is benzene;methane;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namebenzene;methane;1,2,3,4-tetrahydrochrysene
PubChem CID174815578
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Namebenzene;methane;1,2,3,4-tetrahydrochrysene
SMILESC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1
InChIInChI=1S/C18H16.C6H6.CH4/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;1H4
InChIKeyWVGAJKWZUHUOOO-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;methane;1,2,3,4-tetrahydrochrysene?
The IUPAC name of benzene;methane;1,2,3,4-tetrahydrochrysene (CID 174815578) is benzene;methane;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for benzene;methane;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for benzene;methane;1,2,3,4-tetrahydrochrysene is C.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1.
What is the InChIKey of benzene;methane;1,2,3,4-tetrahydrochrysene?
The InChIKey is WVGAJKWZUHUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C6H6.CH4/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;1H4.
What are the key properties of benzene;methane;1,2,3,4-tetrahydrochrysene?
benzene;methane;1,2,3,4-tetrahydrochrysene has a molecular weight of 326.48 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methane;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174815578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).