4-carbazol-9-yl-N-pentylaniline

C23H24N2 — CID 66968875

IUPAC4-carbazol-9-yl-N-pentylaniline
SMILESCCCCCNc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H24N2/c1-2-3-8-17-24-18-13-15-19(16-14-18)25-22-11-6-4-9-20(22)21-10-5-7-12-23(21)25/h4-7,9-16,24H,2-3,8,17H2,1H3
InChIKeyOADBQFPVLHQGSQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.39
Rot. Bonds6

About 4-carbazol-9-yl-N-pentylaniline

4-carbazol-9-yl-N-pentylaniline (PubChem CID 66968875) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-pentylaniline.

Molecular Properties

Compound Name4-carbazol-9-yl-N-pentylaniline
PubChem CID66968875
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name4-carbazol-9-yl-N-pentylaniline
SMILESCCCCCNc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H24N2/c1-2-3-8-17-24-18-13-15-19(16-14-18)25-22-11-6-4-9-20(22)21-10-5-7-12-23(21)25/h4-7,9-16,24H,2-3,8,17H2,1H3
InChIKeyOADBQFPVLHQGSQ-UHFFFAOYSA-N
XLogP6.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptylaniline;hydrate
CID 174886464
4-(3,27-dithia-15-azaheptacyclo[14.11.0.02,14.04,13.06,11.017,26.019,24]heptacosa-1(16),2(14),4,6,8,10,12,17,19,21,23,25-dodecaen-15-yl)-N-octylaniline
CID 143805502
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
N-hexyl-4-(triazol-2-yl)aniline
CID 43740283
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
N-hexyl-4-phenoxyaniline
CID 28876890
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-pentylaniline?
The IUPAC name of 4-carbazol-9-yl-N-pentylaniline (CID 66968875) is 4-carbazol-9-yl-N-pentylaniline.
What is the SMILES notation for 4-carbazol-9-yl-N-pentylaniline?
The canonical SMILES for 4-carbazol-9-yl-N-pentylaniline is CCCCCNc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-carbazol-9-yl-N-pentylaniline?
The InChIKey is OADBQFPVLHQGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-3-8-17-24-18-13-15-19(16-14-18)25-22-11-6-4-9-20(22)21-10-5-7-12-23(21)25/h4-7,9-16,24H,2-3,8,17H2,1H3.
What are the key properties of 4-carbazol-9-yl-N-pentylaniline?
4-carbazol-9-yl-N-pentylaniline has a molecular weight of 328.46 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N-pentylaniline is sourced from PubChem (CID 66968875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).