2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium

C33H44Y-2 — CID 157245584

IUPAC2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium
SMILESCC.CC.CC(C)(C)Cc1ccc2ccccc2c1-c1[c-]ccc2ccccc12.C[C-](C)C.[Y]
InChIInChI=1S/C25H23.C4H9.2C2H6.Y/c1-25(2,3)17-20-16-15-19-10-5-7-13-22(19)24(20)23-14-8-11-18-9-4-6-12-21(18)23;1-4(2)3;2*1-2;/h4-13,15-16H,17H2,1-3H3;1-3H3;2*1-2H3;/q2*-1;;;
InChIKeyCOUNOSKKTAMQCM-UHFFFAOYSA-N
MW529.62 g/mol
LogP10.72
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium

2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium (PubChem CID 157245584) has the molecular formula C33H44Y-2 and a molecular weight of 529.62 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium
PubChem CID157245584
Molecular FormulaC33H44Y-2
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium
SMILESCC.CC.CC(C)(C)Cc1ccc2ccccc2c1-c1[c-]ccc2ccccc12.C[C-](C)C.[Y]
InChIInChI=1S/C25H23.C4H9.2C2H6.Y/c1-25(2,3)17-20-16-15-19-10-5-7-13-22(19)24(20)23-14-8-11-18-9-4-6-12-21(18)23;1-4(2)3;2*1-2;/h4-13,15-16H,17H2,1-3H3;1-3H3;2*1-2H3;/q2*-1;;;
InChIKeyCOUNOSKKTAMQCM-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
1-(2H-naphthalen-2-id-1-yl)-2H-anthracen-2-ide;yttrium
CID 58813435
4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
CID 164804327
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
CID 58813865
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
3-(2H-naphthalen-2-id-1-yl)-2H-furan-2-ide;yttrium
CID 58813794
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
iridium(3+);1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine
CID 59702665
[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium (CID 157245584) is 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium is CC.CC.CC(C)(C)Cc1ccc2ccccc2c1-c1[c-]ccc2ccccc12.C[C-](C)C.[Y].
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium?
The InChIKey is COUNOSKKTAMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23.C4H9.2C2H6.Y/c1-25(2,3)17-20-16-15-19-10-5-7-13-22(19)24(20)23-14-8-11-18-9-4-6-12-21(18)23;1-4(2)3;2*1-2;/h4-13,15-16H,17H2,1-3H3;1-3H3;2*1-2H3;/q2*-1;;;.
What are the key properties of 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium?
2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium has a molecular weight of 529.62 g/mol, XLogP of 10.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium is sourced from PubChem (CID 157245584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).