9-hexadecylcarbazole

C28H41N — CID 4166588

IUPAC9-hexadecylcarbazole
SMILESCCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C28H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29/h15-18,20-23H,2-14,19,24H2,1H3
InChIKeyRTIMMZDJHATUCK-UHFFFAOYSA-N
MW391.64 g/mol
LogP9.28
Rot. Bonds15

About 9-hexadecylcarbazole

9-hexadecylcarbazole (PubChem CID 4166588) has the molecular formula C28H41N and a molecular weight of 391.64 g/mol. Its IUPAC name is 9-hexadecylcarbazole.

Molecular Properties

Compound Name9-hexadecylcarbazole
PubChem CID4166588
Molecular FormulaC28H41N
Molecular Weight391.64 g/mol
Exact Mass391.32
IUPAC Name9-hexadecylcarbazole
SMILESCCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C28H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29/h15-18,20-23H,2-14,19,24H2,1H3
InChIKeyRTIMMZDJHATUCK-UHFFFAOYSA-N
XLogP9.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
9-octylcarbazol-1-ol
CID 160567195
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902
1-bromo-9-heptadecylcarbazole
CID 174836685
9-octylcarbazole-2-carbaldehyde
CID 71623415
2-octoxy-9-octylcarbazole
CID 15163804
9-octadecyl-2-octoxycarbazole
CID 15163807

Frequently Asked Questions

What is the IUPAC name of 9-hexadecylcarbazole?
The IUPAC name of 9-hexadecylcarbazole (CID 4166588) is 9-hexadecylcarbazole.
What is the SMILES notation for 9-hexadecylcarbazole?
The canonical SMILES for 9-hexadecylcarbazole is CCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-hexadecylcarbazole?
The InChIKey is RTIMMZDJHATUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29/h15-18,20-23H,2-14,19,24H2,1H3.
What are the key properties of 9-hexadecylcarbazole?
9-hexadecylcarbazole has a molecular weight of 391.64 g/mol, XLogP of 9.28, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexadecylcarbazole is sourced from PubChem (CID 4166588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).