9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole

C30H28F2N2 — CID 102525341

IUPAC9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole
SMILESCc1ccnc(-c2ccc(F)c(CCCCCCn3c4ccccc4c4ccccc43)c2F)c1
InChIInChI=1S/C30H28F2N2/c1-21-17-18-33-27(20-21)25-15-16-26(31)24(30(25)32)12-4-2-3-9-19-34-28-13-7-5-10-22(28)23-11-6-8-14-29(23)34/h5-8,10-11,13-18,20H,2-4,9,12,19H2,1H3
InChIKeyGKIIKCVELHFVGV-UHFFFAOYSA-N
MW454.56 g/mol
LogP8.25
Rot. Bonds8

About 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole

9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole (PubChem CID 102525341) has the molecular formula C30H28F2N2 and a molecular weight of 454.56 g/mol. Its IUPAC name is 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole.

Molecular Properties

Compound Name9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole
PubChem CID102525341
Molecular FormulaC30H28F2N2
Molecular Weight454.56 g/mol
Exact Mass454.22
IUPAC Name9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole
SMILESCc1ccnc(-c2ccc(F)c(CCCCCCn3c4ccccc4c4ccccc43)c2F)c1
InChIInChI=1S/C30H28F2N2/c1-21-17-18-33-27(20-21)25-15-16-26(31)24(30(25)32)12-4-2-3-9-19-34-28-13-7-5-10-22(28)23-11-6-8-14-29(23)34/h5-8,10-11,13-18,20H,2-4,9,12,19H2,1H3
InChIKeyGKIIKCVELHFVGV-UHFFFAOYSA-N
XLogP8.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole?
The IUPAC name of 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole (CID 102525341) is 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole.
What is the SMILES notation for 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole?
The canonical SMILES for 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole is Cc1ccnc(-c2ccc(F)c(CCCCCCn3c4ccccc4c4ccccc43)c2F)c1.
What is the InChIKey of 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole?
The InChIKey is GKIIKCVELHFVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N2/c1-21-17-18-33-27(20-21)25-15-16-26(31)24(30(25)32)12-4-2-3-9-19-34-28-13-7-5-10-22(28)23-11-6-8-14-29(23)34/h5-8,10-11,13-18,20H,2-4,9,12,19H2,1H3.
What are the key properties of 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole?
9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole has a molecular weight of 454.56 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[2,6-difluoro-3-(4-methyl-2-pyridinyl)phenyl]hexyl]carbazole is sourced from PubChem (CID 102525341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).