(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone

C23H14INOS — CID 102130633

IUPAC(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c2ccccc2c2c(I)c(-c3ccccc3)sc21
InChIInChI=1S/C23H14INOS/c24-20-19-17-13-7-8-14-18(17)25(22(26)16-11-5-2-6-12-16)23(19)27-21(20)15-9-3-1-4-10-15/h1-14H
InChIKeySXKWDGJXFITJFJ-UHFFFAOYSA-N
MW479.34 g/mol
LogP6.82
Rot. Bonds2

About (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone

(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone (PubChem CID 102130633) has the molecular formula C23H14INOS and a molecular weight of 479.34 g/mol. Its IUPAC name is (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone
PubChem CID102130633
Molecular FormulaC23H14INOS
Molecular Weight479.34 g/mol
Exact Mass478.98
IUPAC Name(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c2ccccc2c2c(I)c(-c3ccccc3)sc21
InChIInChI=1S/C23H14INOS/c24-20-19-17-13-7-8-14-18(17)25(22(26)16-11-5-2-6-12-16)23(19)27-21(20)15-9-3-1-4-10-15/h1-14H
InChIKeySXKWDGJXFITJFJ-UHFFFAOYSA-N
XLogP6.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.34
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
CID 22569367
(2-amino-1-benzoylindol-3-yl)-phenylmethanone
CID 51700673
(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid
CID 57393522
(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
CID 164524647
(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
CID 156788671
(19-benzoyl-4,30-dithia-15,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1(18),2,5(14),6,8,10,12,16,20(29),21,23,25,27-tridecaen-15-yl)-phenylmethanone
CID 15401224
4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile
CID 940372
ethyl 1-benzoyl-3-bromoindole-2-carboxylate
CID 68975642
N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
CID 90862769
9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 10417481

Frequently Asked Questions

What is the IUPAC name of (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone?
The IUPAC name of (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone (CID 102130633) is (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone.
What is the SMILES notation for (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone?
The canonical SMILES for (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone is O=C(c1ccccc1)n1c2ccccc2c2c(I)c(-c3ccccc3)sc21.
What is the InChIKey of (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone?
The InChIKey is SXKWDGJXFITJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14INOS/c24-20-19-17-13-7-8-14-18(17)25(22(26)16-11-5-2-6-12-16)23(19)27-21(20)15-9-3-1-4-10-15/h1-14H.
What are the key properties of (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone?
(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone has a molecular weight of 479.34 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone is sourced from PubChem (CID 102130633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).