4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine

C30H32N4 — CID 141462433

IUPAC4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine
SMILESNc1ccc(N(CCCCCCc2cccc3c2[nH]c2ccccc23)c2ccc(N)cc2)cc1
InChIInChI=1S/C30H32N4/c31-23-13-17-25(18-14-23)34(26-19-15-24(32)16-20-26)21-6-2-1-3-8-22-9-7-11-28-27-10-4-5-12-29(27)33-30(22)28/h4-5,7,9-20,33H,1-3,6,8,21,31-32H2
InChIKeyUXTPDSYDXYPEBP-UHFFFAOYSA-N
MW448.61 g/mol
LogP7.43
Rot. Bonds9

About 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine

4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine (PubChem CID 141462433) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine
PubChem CID141462433
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine
SMILESNc1ccc(N(CCCCCCc2cccc3c2[nH]c2ccccc23)c2ccc(N)cc2)cc1
InChIInChI=1S/C30H32N4/c31-23-13-17-25(18-14-23)34(26-19-15-24(32)16-20-26)21-6-2-1-3-8-22-9-7-11-28-27-10-4-5-12-29(27)33-30(22)28/h4-5,7,9-20,33H,1-3,6,8,21,31-32H2
InChIKeyUXTPDSYDXYPEBP-UHFFFAOYSA-N
XLogP7.43
TPSA71.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine (CID 141462433) is 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine is Nc1ccc(N(CCCCCCc2cccc3c2[nH]c2ccccc23)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine?
The InChIKey is UXTPDSYDXYPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4/c31-23-13-17-25(18-14-23)34(26-19-15-24(32)16-20-26)21-6-2-1-3-8-22-9-7-11-28-27-10-4-5-12-29(27)33-30(22)28/h4-5,7,9-20,33H,1-3,6,8,21,31-32H2.
What are the key properties of 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine?
4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine has a molecular weight of 448.61 g/mol, XLogP of 7.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine is sourced from PubChem (CID 141462433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).