4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine

C33H39N3 — CID 70650941

IUPAC4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(NNc4ccc(N)c5ccccc45)cc3)cc2)CC1
InChIInChI=1S/C33H39N3/c1-2-3-4-7-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-20-29(21-19-28)35-36-33-23-22-32(34)30-8-5-6-9-31(30)33/h5-6,8-9,14-25,35-36H,2-4,7,10-13,34H2,1H3
InChIKeyBQEHPUNVPLDLNC-UHFFFAOYSA-N
MW477.70 g/mol
LogP9.38
Rot. Bonds9

About 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine

4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine (PubChem CID 70650941) has the molecular formula C33H39N3 and a molecular weight of 477.70 g/mol. Its IUPAC name is 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine
PubChem CID70650941
Molecular FormulaC33H39N3
Molecular Weight477.70 g/mol
Exact Mass477.31
IUPAC Name4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(NNc4ccc(N)c5ccccc45)cc3)cc2)CC1
InChIInChI=1S/C33H39N3/c1-2-3-4-7-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-20-29(21-19-28)35-36-33-23-22-32(34)30-8-5-6-9-31(30)33/h5-6,8-9,14-25,35-36H,2-4,7,10-13,34H2,1H3
InChIKeyBQEHPUNVPLDLNC-UHFFFAOYSA-N
XLogP9.38
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.70
LogP ≤ 59.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine 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-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine?
The IUPAC name of 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine (CID 70650941) is 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine.
What is the SMILES notation for 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine?
The canonical SMILES for 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine is CCCCCC1CCC(c2ccc(-c3ccc(NNc4ccc(N)c5ccccc45)cc3)cc2)CC1.
What is the InChIKey of 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine?
The InChIKey is BQEHPUNVPLDLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3/c1-2-3-4-7-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-20-29(21-19-28)35-36-33-23-22-32(34)30-8-5-6-9-31(30)33/h5-6,8-9,14-25,35-36H,2-4,7,10-13,34H2,1H3.
What are the key properties of 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine?
4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine has a molecular weight of 477.70 g/mol, XLogP of 9.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]hydrazinyl]naphthalen-1-amine is sourced from PubChem (CID 70650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).