2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol

C30H31NO — CID 139997772

IUPAC2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol
SMILESC/C(=N\c1ccc(C(C)C)cc1C(C)C)c1ccc2cccc(-c3ccccc3)c2c1O
InChIInChI=1S/C30H31NO/c1-19(2)24-15-17-28(27(18-24)20(3)4)31-21(5)25-16-14-23-12-9-13-26(29(23)30(25)32)22-10-7-6-8-11-22/h6-20,32H,1-5H3/b31-21+
InChIKeyAEJXPZKIYQNOQV-NJZRLIGZSA-N
MW421.58 g/mol
LogP8.60
Rot. Bonds5

About 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol

2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol (PubChem CID 139997772) has the molecular formula C30H31NO and a molecular weight of 421.58 g/mol. Its IUPAC name is 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol
PubChem CID139997772
Molecular FormulaC30H31NO
Molecular Weight421.58 g/mol
Exact Mass421.24
IUPAC Name2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol
SMILESC/C(=N\c1ccc(C(C)C)cc1C(C)C)c1ccc2cccc(-c3ccccc3)c2c1O
InChIInChI=1S/C30H31NO/c1-19(2)24-15-17-28(27(18-24)20(3)4)31-21(5)25-16-14-23-12-9-13-26(29(23)30(25)32)22-10-7-6-8-11-22/h6-20,32H,1-5H3/b31-21+
InChIKeyAEJXPZKIYQNOQV-NJZRLIGZSA-N
XLogP8.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 23567899
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 158713023
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol
CID 137128809
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129
benzo[e]azulen-10-ol
CID 140974597
ethane;2-propan-2-ylnaphthalene
CID 142226111
CID 177454667
CID 177454667
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol?
The IUPAC name of 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol (CID 139997772) is 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol.
What is the SMILES notation for 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol?
The canonical SMILES for 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol is C/C(=N\c1ccc(C(C)C)cc1C(C)C)c1ccc2cccc(-c3ccccc3)c2c1O.
What is the InChIKey of 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol?
The InChIKey is AEJXPZKIYQNOQV-NJZRLIGZSA-N. The full InChI is InChI=1S/C30H31NO/c1-19(2)24-15-17-28(27(18-24)20(3)4)31-21(5)25-16-14-23-12-9-13-26(29(23)30(25)32)22-10-7-6-8-11-22/h6-20,32H,1-5H3/b31-21+.
What are the key properties of 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol?
2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol has a molecular weight of 421.58 g/mol, XLogP of 8.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2,4-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-8-phenylnaphthalen-1-ol is sourced from PubChem (CID 139997772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).