5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde

C30H21NO2S2 — CID 118026651

IUPAC5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-n2c(-c3ccccc3)c(-c3ccc(-c4ccc(C=O)s4)s3)c3ccccc32)cc1
InChIInChI=1S/C30H21NO2S2/c1-33-22-13-11-21(12-14-22)31-25-10-6-5-9-24(25)29(30(31)20-7-3-2-4-8-20)28-18-17-27(35-28)26-16-15-23(19-32)34-26/h2-19H,1H3
InChIKeyRLRMUHWEGJWSPW-UHFFFAOYSA-N
MW491.64 g/mol
LogP8.58
Rot. Bonds6

About 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 118026651) has the molecular formula C30H21NO2S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID118026651
Molecular FormulaC30H21NO2S2
Molecular Weight491.64 g/mol
Exact Mass491.10
IUPAC Name5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-n2c(-c3ccccc3)c(-c3ccc(-c4ccc(C=O)s4)s3)c3ccccc32)cc1
InChIInChI=1S/C30H21NO2S2/c1-33-22-13-11-21(12-14-22)31-25-10-6-5-9-24(25)29(30(31)20-7-3-2-4-8-20)28-18-17-27(35-28)26-16-15-23(19-32)34-26/h2-19H,1H3
InChIKeyRLRMUHWEGJWSPW-UHFFFAOYSA-N
XLogP8.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde (CID 118026651) is 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde is COc1ccc(-n2c(-c3ccccc3)c(-c3ccc(-c4ccc(C=O)s4)s3)c3ccccc32)cc1.
What is the InChIKey of 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is RLRMUHWEGJWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2S2/c1-33-22-13-11-21(12-14-22)31-25-10-6-5-9-24(25)29(30(31)20-7-3-2-4-8-20)28-18-17-27(35-28)26-16-15-23(19-32)34-26/h2-19H,1H3.
What are the key properties of 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 491.64 g/mol, XLogP of 8.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(4-methoxyphenyl)-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 118026651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).