8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole

C19H16IN — CID 163846059

IUPAC8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole
SMILESCc1c(CI)ccc2cc3c4ccccc4n(C)c3cc12
InChIInChI=1S/C19H16IN/c1-12-14(11-20)8-7-13-9-17-15-5-3-4-6-18(15)21(2)19(17)10-16(12)13/h3-10H,11H2,1-2H3
InChIKeyOQGQUMOXJPWFNA-UHFFFAOYSA-N
MW385.25 g/mol
LogP5.73
Rot. Bonds1

About 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole

8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole (PubChem CID 163846059) has the molecular formula C19H16IN and a molecular weight of 385.25 g/mol. Its IUPAC name is 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole.

Molecular Properties

Compound Name8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole
PubChem CID163846059
Molecular FormulaC19H16IN
Molecular Weight385.25 g/mol
Exact Mass385.03
IUPAC Name8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole
SMILESCc1c(CI)ccc2cc3c4ccccc4n(C)c3cc12
InChIInChI=1S/C19H16IN/c1-12-14(11-20)8-7-13-9-17-15-5-3-4-6-18(15)21(2)19(17)10-16(12)13/h3-10H,11H2,1-2H3
InChIKeyOQGQUMOXJPWFNA-UHFFFAOYSA-N
XLogP5.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole?
The IUPAC name of 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole (CID 163846059) is 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole.
What is the SMILES notation for 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole?
The canonical SMILES for 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole is Cc1c(CI)ccc2cc3c4ccccc4n(C)c3cc12.
What is the InChIKey of 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole?
The InChIKey is OQGQUMOXJPWFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN/c1-12-14(11-20)8-7-13-9-17-15-5-3-4-6-18(15)21(2)19(17)10-16(12)13/h3-10H,11H2,1-2H3.
What are the key properties of 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole?
8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole has a molecular weight of 385.25 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole is sourced from PubChem (CID 163846059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).