2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

C46H42N6O5 — CID 122432538

About 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 122432538) has the molecular formula C46H42N6O5 and a molecular weight of 758.88 g/mol. Its IUPAC name is 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
• PubChem CID: 122432538
• Molecular Formula: C46H42N6O5
• Molecular Weight: 758.88 g/mol
• Exact Mass: 758.32
• IUPAC Name: 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
• SMILES: COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-c2nnc(-c3cccc(N(C)C)c3-n3c4ccc(OC)cc4c4cc(OC)ccc43)o2)cccc1N(C)C
• InChI: InChI=1S/C46H42N6O5/c1-49(2)41-13-9-11-31(43(41)51-37-19-15-27(53-5)23-33(37)34-24-28(54-6)16-20-38(34)51)45-47-48-46(57-45)32-12-10-14-42(50(3)4)44(32)52-39-21-17-29(55-7)25-35(39)36-26-30(56-8)18-22-40(36)52/h9-26H,1-8H3
• InChIKey: BVZSTNVUFROAPM-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 92.18 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	758.88
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?

The IUPAC name of 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 122432538) is 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

What is the SMILES notation for 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?

The canonical SMILES for 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-c2nnc(-c3cccc(N(C)C)c3-n3c4ccc(OC)cc4c4cc(OC)ccc43)o2)cccc1N(C)C.

What is the InChIKey of 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?

The InChIKey is BVZSTNVUFROAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N6O5/c1-49(2)41-13-9-11-31(43(41)51-37-19-15-27(53-5)23-33(37)34-24-28(54-6)16-20-38(34)51)45-47-48-46(57-45)32-12-10-14-42(50(3)4)44(32)52-39-21-17-29(55-7)25-35(39)36-26-30(56-8)18-22-40(36)52/h9-26H,1-8H3.

What are the key properties of 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?

2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 758.88 g/mol, XLogP of 9.76, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dimethoxycarbazol-9-yl)-3-[5-[2-(3,6-dimethoxycarbazol-9-yl)-3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 122432538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).