furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene

C64H64N10O8S5 — CID 167684793

About furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene

furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene (PubChem CID 167684793) has the molecular formula C64H64N10O8S5 and a molecular weight of 1261.61 g/mol. Its IUPAC name is furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene.

Molecular Properties

• Compound Name: furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene
• PubChem CID: 167684793
• Molecular Formula: C64H64N10O8S5
• Molecular Weight: 1261.61 g/mol
• Exact Mass: 1260.35
• IUPAC Name: furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene
• SMILES: Cc1cccc(C)c1.Cn1c2ccccc2c2ccccc21.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnoc1.c1cnoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.c1cscn1
• InChI: InChI=1S/C13H11N.C8H10.2C4H4O.2C4H4S.6C3H3NO.3C3H3NS/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-4-3-5-8(2)6-7;4*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1/h2-9H,1H3;3-6H,1-2H3;4*1-4H;9*1-3H
• InChIKey: WBFWKHPBIAUMGI-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 226.06 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.61
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene?

The IUPAC name of furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene (CID 167684793) is furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene.

What is the SMILES notation for furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene?

The canonical SMILES for furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene is Cc1cccc(C)c1.Cn1c2ccccc2c2ccccc21.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnoc1.c1cnoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.

What is the InChIKey of furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene?

The InChIKey is WBFWKHPBIAUMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C8H10.2C4H4O.2C4H4S.6C3H3NO.3C3H3NS/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-4-3-5-8(2)6-7;4*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1/h2-9H,1H3;3-6H,1-2H3;4*1-4H;9*1-3H.

What are the key properties of furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene?

furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene has a molecular weight of 1261.61 g/mol, XLogP of 19.17, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for furan;9-methylcarbazole;tris(1,2-oxazole);tris(1,3-oxazole);1,2-thiazole;bis(1,3-thiazole);thiophene;1,3-xylene is sourced from PubChem (CID 167684793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).