(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one

C27H17NOS — CID 69007488

IUPAC(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one
SMILESO=C1/C(=C/c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)Sc2ccccc21
InChIInChI=1S/C27H17NOS/c29-27-21-10-4-6-12-24(21)30-25(27)16-22-20-9-3-5-11-23(20)28-26(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16,28H/b25-16-
InChIKeyZVVPWXFXERTVSH-XYGWBWBKSA-N
MW403.51 g/mol
LogP7.32
Rot. Bonds2

About (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one

(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one (PubChem CID 69007488) has the molecular formula C27H17NOS and a molecular weight of 403.51 g/mol. Its IUPAC name is (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one
PubChem CID69007488
Molecular FormulaC27H17NOS
Molecular Weight403.51 g/mol
Exact Mass403.10
IUPAC Name(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one
SMILESO=C1/C(=C/c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)Sc2ccccc21
InChIInChI=1S/C27H17NOS/c29-27-21-10-4-6-12-24(21)30-25(27)16-22-20-9-3-5-11-23(20)28-26(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16,28H/b25-16-
InChIKeyZVVPWXFXERTVSH-XYGWBWBKSA-N
XLogP7.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69004476
(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]-1-benzothiophen-3-one
CID 695423
2-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-benzothiophen-3-one
CID 4099675
2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one
CID 2859345
(2Z)-2-(pyridin-2-ylmethylidene)-1-benzothiophen-3-one
CID 155262579
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
CID 102042854
3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
CID 170874148
2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione
CID 59412590
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
(2Z)-2-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 50883720

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one?
The IUPAC name of (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one (CID 69007488) is (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one.
What is the SMILES notation for (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one?
The canonical SMILES for (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one is O=C1/C(=C/c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)Sc2ccccc21.
What is the InChIKey of (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one?
The InChIKey is ZVVPWXFXERTVSH-XYGWBWBKSA-N. The full InChI is InChI=1S/C27H17NOS/c29-27-21-10-4-6-12-24(21)30-25(27)16-22-20-9-3-5-11-23(20)28-26(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16,28H/b25-16-.
What are the key properties of (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one?
(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one has a molecular weight of 403.51 g/mol, XLogP of 7.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one is sourced from PubChem (CID 69007488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).