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

C30H21NO2S2 — CID 118026406

IUPAC5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)n(-c4ccc(CO)cc4)c4ccccc34)s2)s1
InChIInChI=1S/C30H21NO2S2/c32-18-20-10-12-22(13-11-20)31-25-9-5-4-8-24(25)29(30(31)21-6-2-1-3-7-21)28-17-16-27(35-28)26-15-14-23(19-33)34-26/h1-17,19,32H,18H2
InChIKeyKVWMSQOTGRZQMM-UHFFFAOYSA-N
MW491.64 g/mol
LogP8.06
Rot. Bonds6

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

5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 118026406) has the molecular formula C30H21NO2S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID118026406
Molecular FormulaC30H21NO2S2
Molecular Weight491.64 g/mol
Exact Mass491.10
IUPAC Name5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)n(-c4ccc(CO)cc4)c4ccccc34)s2)s1
InChIInChI=1S/C30H21NO2S2/c32-18-20-10-12-22(13-11-20)31-25-9-5-4-8-24(25)29(30(31)21-6-2-1-3-7-21)28-17-16-27(35-28)26-15-14-23(19-33)34-26/h1-17,19,32H,18H2
InChIKeyKVWMSQOTGRZQMM-UHFFFAOYSA-N
XLogP8.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
CID 102137747
5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
CID 23080398
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
CID 101397273
[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
CID 68817582
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58161036
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde
CID 123864431
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
CID 155097260

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde (CID 118026406) is 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)n(-c4ccc(CO)cc4)c4ccccc34)s2)s1.
What is the InChIKey of 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is KVWMSQOTGRZQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2S2/c32-18-20-10-12-22(13-11-20)31-25-9-5-4-8-24(25)29(30(31)21-6-2-1-3-7-21)28-17-16-27(35-28)26-15-14-23(19-33)34-26/h1-17,19,32H,18H2.
What are the key properties of 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 491.64 g/mol, XLogP of 8.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[4-(hydroxymethyl)phenyl]-2-phenylindol-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 118026406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).