azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride

C30H30ClN — CID 175285254

IUPACazane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
SMILESCCc1ccc(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc12.Cl.N
InChIInChI=1S/C30H26.ClH.H3N/c1-2-20-14-16-28(24-11-6-5-9-22(20)24)25-12-7-13-26-29-17-15-21-8-3-4-10-23(21)27(29)18-19-30(25)26;;/h3-6,8-11,14-19,25H,2,7,12-13H2,1H3;1H;1H3
InChIKeyIJOLFNBKBVVYJD-UHFFFAOYSA-N
MW440.03 g/mol
LogP8.76
Rot. Bonds2

About azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride

azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride (PubChem CID 175285254) has the molecular formula C30H30ClN and a molecular weight of 440.03 g/mol. Its IUPAC name is azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride.

Molecular Properties

Compound Nameazane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
PubChem CID175285254
Molecular FormulaC30H30ClN
Molecular Weight440.03 g/mol
Exact Mass439.21
IUPAC Nameazane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
SMILESCCc1ccc(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc12.Cl.N
InChIInChI=1S/C30H26.ClH.H3N/c1-2-20-14-16-28(24-11-6-5-9-22(20)24)25-12-7-13-26-29-17-15-21-8-3-4-10-23(21)27(29)18-19-30(25)26;;/h3-6,8-11,14-19,25H,2,7,12-13H2,1H3;1H;1H3
InChIKeyIJOLFNBKBVVYJD-UHFFFAOYSA-N
XLogP8.76
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.03
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
CID 174447083
2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
CID 174587497
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
1-[2-bromo-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174834129
2-[2-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-yl]but-3-enoic acid
CID 174544039
1-(bromomethyl)-1,2,3,4-tetrahydrochrysene
CID 174632843
naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine
CID 174508021
2-(1,2,3,4-tetrahydrochrysen-1-yl)quinoline-4-carbaldehyde
CID 174596585
1-chloro-1,2,3,4-tetrahydrochrysene;1-phenylethanone
CID 174825712
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424
tert-butyl 1,2,3,4-tetrahydrochrysene-1-carboxylate
CID 174377147
benzoyl benzoate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174434035

Frequently Asked Questions

What is the IUPAC name of azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride?
The IUPAC name of azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride (CID 175285254) is azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride.
What is the SMILES notation for azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride?
The canonical SMILES for azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride is CCc1ccc(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc12.Cl.N.
What is the InChIKey of azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride?
The InChIKey is IJOLFNBKBVVYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26.ClH.H3N/c1-2-20-14-16-28(24-11-6-5-9-22(20)24)25-12-7-13-26-29-17-15-21-8-3-4-10-23(21)27(29)18-19-30(25)26;;/h3-6,8-11,14-19,25H,2,7,12-13H2,1H3;1H;1H3.
What are the key properties of azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride?
azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride has a molecular weight of 440.03 g/mol, XLogP of 8.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride is sourced from PubChem (CID 175285254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).