N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline

C43H64N4 — CID 155230047

IUPACN-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline
SMILESCCCCCCCCCCCCc1ccc(N(Cn2nnc3ccccc32)c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C43H64N4/c1-3-5-7-9-11-13-15-17-19-21-25-38-29-33-40(34-30-38)46(37-47-43-28-24-23-27-42(43)44-45-47)41-35-31-39(32-36-41)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-36H,3-22,25-26,37H2,1-2H3
InChIKeyXKENUVRDFMRSPG-UHFFFAOYSA-N
MW637.01 g/mol
LogP13.15
Rot. Bonds26

About N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline

N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline (PubChem CID 155230047) has the molecular formula C43H64N4 and a molecular weight of 637.01 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline
PubChem CID155230047
Molecular FormulaC43H64N4
Molecular Weight637.01 g/mol
Exact Mass636.51
IUPAC NameN-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline
SMILESCCCCCCCCCCCCc1ccc(N(Cn2nnc3ccccc32)c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C43H64N4/c1-3-5-7-9-11-13-15-17-19-21-25-38-29-33-40(34-30-38)46(37-47-43-28-24-23-27-42(43)44-45-47)41-35-31-39(32-36-41)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-36H,3-22,25-26,37H2,1-2H3
InChIKeyXKENUVRDFMRSPG-UHFFFAOYSA-N
XLogP13.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.01
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tridecylbenzotriazole
CID 21059042
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
silver 1-octylbenzotriazole
CID 19818350
benzotriazol-1-yl-bis(4-octylphenyl)methanamine
CID 155230048
acetic acid;1-octylbenzotriazole
CID 175150004
4-octyl-N-(4-octylphenyl)-N-(2-phenylethyl)aniline
CID 141327378
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493
1-(benzotriazol-1-yl)undecan-2-one
CID 3783486
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline (CID 155230047) is N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline is CCCCCCCCCCCCc1ccc(N(Cn2nnc3ccccc32)c2ccc(CCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline?
The InChIKey is XKENUVRDFMRSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64N4/c1-3-5-7-9-11-13-15-17-19-21-25-38-29-33-40(34-30-38)46(37-47-43-28-24-23-27-42(43)44-45-47)41-35-31-39(32-36-41)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-36H,3-22,25-26,37H2,1-2H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline?
N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline has a molecular weight of 637.01 g/mol, XLogP of 13.15, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline is sourced from PubChem (CID 155230047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).