2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole

C27H18N4O — CID 21029080

IUPAC2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole
SMILESCn1c2ccccc2c2cc(-c3nnc(-c4ccc5[nH]c6ccccc6c5c4)o3)ccc21
InChIInChI=1S/C27H18N4O/c1-31-24-9-5-3-7-19(24)21-15-17(11-13-25(21)31)27-30-29-26(32-27)16-10-12-23-20(14-16)18-6-2-4-8-22(18)28-23/h2-15,28H,1H3
InChIKeyFUTLCYPEPMVYCI-UHFFFAOYSA-N
MW414.47 g/mol
LogP6.68
Rot. Bonds2

About 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole

2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole (PubChem CID 21029080) has the molecular formula C27H18N4O and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole
PubChem CID21029080
Molecular FormulaC27H18N4O
Molecular Weight414.47 g/mol
Exact Mass414.15
IUPAC Name2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole
SMILESCn1c2ccccc2c2cc(-c3nnc(-c4ccc5[nH]c6ccccc6c5c4)o3)ccc21
InChIInChI=1S/C27H18N4O/c1-31-24-9-5-3-7-19(24)21-15-17(11-13-25(21)31)27-30-29-26(32-27)16-10-12-23-20(14-16)18-6-2-4-8-22(18)28-23/h2-15,28H,1H3
InChIKeyFUTLCYPEPMVYCI-UHFFFAOYSA-N
XLogP6.68
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole (CID 21029080) is 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole is Cn1c2ccccc2c2cc(-c3nnc(-c4ccc5[nH]c6ccccc6c5c4)o3)ccc21.
What is the InChIKey of 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is FUTLCYPEPMVYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O/c1-31-24-9-5-3-7-19(24)21-15-17(11-13-25(21)31)27-30-29-26(32-27)16-10-12-23-20(14-16)18-6-2-4-8-22(18)28-23/h2-15,28H,1H3.
What are the key properties of 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole?
2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 414.47 g/mol, XLogP of 6.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 21029080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).