3,4-didecyl-2-phenylnaphthalen-1-amine

C36H53N — CID 141323238

IUPAC3,4-didecyl-2-phenylnaphthalen-1-amine
SMILESCCCCCCCCCCc1c(-c2ccccc2)c(N)c2ccccc2c1CCCCCCCCCC
InChIInChI=1S/C36H53N/c1-3-5-7-9-11-13-15-20-26-31-32-27-22-23-29-34(32)36(37)35(30-24-18-17-19-25-30)33(31)28-21-16-14-12-10-8-6-4-2/h17-19,22-25,27,29H,3-16,20-21,26,28,37H2,1-2H3
InChIKeySCMRIXXOGLVZAO-UHFFFAOYSA-N
MW499.83 g/mol
LogP11.46
Rot. Bonds19

About 3,4-didecyl-2-phenylnaphthalen-1-amine

3,4-didecyl-2-phenylnaphthalen-1-amine (PubChem CID 141323238) has the molecular formula C36H53N and a molecular weight of 499.83 g/mol. Its IUPAC name is 3,4-didecyl-2-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name3,4-didecyl-2-phenylnaphthalen-1-amine
PubChem CID141323238
Molecular FormulaC36H53N
Molecular Weight499.83 g/mol
Exact Mass499.42
IUPAC Name3,4-didecyl-2-phenylnaphthalen-1-amine
SMILESCCCCCCCCCCc1c(-c2ccccc2)c(N)c2ccccc2c1CCCCCCCCCC
InChIInChI=1S/C36H53N/c1-3-5-7-9-11-13-15-20-26-31-32-27-22-23-29-34(32)36(37)35(30-24-18-17-19-25-30)33(31)28-21-16-14-12-10-8-6-4-2/h17-19,22-25,27,29H,3-16,20-21,26,28,37H2,1-2H3
InChIKeySCMRIXXOGLVZAO-UHFFFAOYSA-N
XLogP11.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.83
LogP ≤ 511.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-octylanthracen-9-amine
CID 87887624
9-bromo-10-hexylanthracene
CID 141284839
10-(10-phenylanthracen-9-yl)decane-1-thiol
CID 90045086
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene
CID 88569472
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
9,10-dibutylanthracene
CID 605822
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one
CID 70277732
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 3,4-didecyl-2-phenylnaphthalen-1-amine?
The IUPAC name of 3,4-didecyl-2-phenylnaphthalen-1-amine (CID 141323238) is 3,4-didecyl-2-phenylnaphthalen-1-amine.
What is the SMILES notation for 3,4-didecyl-2-phenylnaphthalen-1-amine?
The canonical SMILES for 3,4-didecyl-2-phenylnaphthalen-1-amine is CCCCCCCCCCc1c(-c2ccccc2)c(N)c2ccccc2c1CCCCCCCCCC.
What is the InChIKey of 3,4-didecyl-2-phenylnaphthalen-1-amine?
The InChIKey is SCMRIXXOGLVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H53N/c1-3-5-7-9-11-13-15-20-26-31-32-27-22-23-29-34(32)36(37)35(30-24-18-17-19-25-30)33(31)28-21-16-14-12-10-8-6-4-2/h17-19,22-25,27,29H,3-16,20-21,26,28,37H2,1-2H3.
What are the key properties of 3,4-didecyl-2-phenylnaphthalen-1-amine?
3,4-didecyl-2-phenylnaphthalen-1-amine has a molecular weight of 499.83 g/mol, XLogP of 11.46, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-didecyl-2-phenylnaphthalen-1-amine is sourced from PubChem (CID 141323238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).