9-iodo-3,6-dimethylcarbazole

C14H12IN — CID 129082868

IUPAC9-iodo-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2I
InChIInChI=1S/C14H12IN/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)16(13)15/h3-8H,1-2H3
InChIKeyVJXHZGWGYYFIQS-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.61
Rot. Bonds

About 9-iodo-3,6-dimethylcarbazole

9-iodo-3,6-dimethylcarbazole (PubChem CID 129082868) has the molecular formula C14H12IN and a molecular weight of 321.16 g/mol. Its IUPAC name is 9-iodo-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-iodo-3,6-dimethylcarbazole
PubChem CID129082868
Molecular FormulaC14H12IN
Molecular Weight321.16 g/mol
Exact Mass321.00
IUPAC Name9-iodo-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2I
InChIInChI=1S/C14H12IN/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)16(13)15/h3-8H,1-2H3
InChIKeyVJXHZGWGYYFIQS-UHFFFAOYSA-N
XLogP4.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
CID 134214427
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
3-methyl-9-oxidocarbazole
CID 166517305
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
1,2,5-trimethylindole-3-thiol
CID 142076478
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
2-isocyano-6,9-dimethylcarbazole
CID 158421593

Frequently Asked Questions

What is the IUPAC name of 9-iodo-3,6-dimethylcarbazole?
The IUPAC name of 9-iodo-3,6-dimethylcarbazole (CID 129082868) is 9-iodo-3,6-dimethylcarbazole.
What is the SMILES notation for 9-iodo-3,6-dimethylcarbazole?
The canonical SMILES for 9-iodo-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2I.
What is the InChIKey of 9-iodo-3,6-dimethylcarbazole?
The InChIKey is VJXHZGWGYYFIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)16(13)15/h3-8H,1-2H3.
What are the key properties of 9-iodo-3,6-dimethylcarbazole?
9-iodo-3,6-dimethylcarbazole has a molecular weight of 321.16 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-3,6-dimethylcarbazole is sourced from PubChem (CID 129082868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).