9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole

C39H25NOS — CID 88924330

IUPAC9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole
SMILESCn1c2ccccc2c2c(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)o4)s3)cccc21
InChIInChI=1S/C39H25NOS/c1-40-33-15-7-6-13-30(33)39-31(14-8-16-34(39)40)37-21-22-38(42-37)36-20-19-35(41-36)24-17-18-29-27-11-3-2-9-25(27)26-10-4-5-12-28(26)32(29)23-24/h2-23H,1H3
InChIKeyGBCAJUGPKMCIBU-UHFFFAOYSA-N
MW555.70 g/mol
LogP11.45
Rot. Bonds3

About 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole

9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole (PubChem CID 88924330) has the molecular formula C39H25NOS and a molecular weight of 555.70 g/mol. Its IUPAC name is 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole
PubChem CID88924330
Molecular FormulaC39H25NOS
Molecular Weight555.70 g/mol
Exact Mass555.17
IUPAC Name9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole
SMILESCn1c2ccccc2c2c(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)o4)s3)cccc21
InChIInChI=1S/C39H25NOS/c1-40-33-15-7-6-13-30(33)39-31(14-8-16-34(39)40)37-21-22-38(42-37)36-20-19-35(41-36)24-17-18-29-27-11-3-2-9-25(27)26-10-4-5-12-28(26)32(29)23-24/h2-23H,1H3
InChIKeyGBCAJUGPKMCIBU-UHFFFAOYSA-N
XLogP11.45
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.70
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole?
The IUPAC name of 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole (CID 88924330) is 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole.
What is the SMILES notation for 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole?
The canonical SMILES for 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole is Cn1c2ccccc2c2c(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)o4)s3)cccc21.
What is the InChIKey of 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole?
The InChIKey is GBCAJUGPKMCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25NOS/c1-40-33-15-7-6-13-30(33)39-31(14-8-16-34(39)40)37-21-22-38(42-37)36-20-19-35(41-36)24-17-18-29-27-11-3-2-9-25(27)26-10-4-5-12-28(26)32(29)23-24/h2-23H,1H3.
What are the key properties of 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole?
9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole has a molecular weight of 555.70 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole is sourced from PubChem (CID 88924330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).