5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole

C40H31N5O — CID 162475982

About 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole

5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole (PubChem CID 162475982) has the molecular formula C40H31N5O and a molecular weight of 597.72 g/mol. Its IUPAC name is 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
• PubChem CID: 162475982
• Molecular Formula: C40H31N5O
• Molecular Weight: 597.72 g/mol
• Exact Mass: 597.25
• IUPAC Name: 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
• SMILES: Cc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6C=CN(c7ccccc7)C6)c5)cc43)cc1n2C
• InChI: InChI=1S/C40H31N5O/c1-27-15-18-36-34(21-27)35-25-41-40(24-38(35)42(36)2)45-37-14-7-6-13-32(37)33-17-16-31(23-39(33)45)46-30-12-8-11-29(22-30)44-20-19-43(26-44)28-9-4-3-5-10-28/h3-25H,26H2,1-2H3
• InChIKey: RWRONBDAFDIMMS-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.72
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole?

The IUPAC name of 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole (CID 162475982) is 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole.

What is the SMILES notation for 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole?

The canonical SMILES for 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole is Cc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6C=CN(c7ccccc7)C6)c5)cc43)cc1n2C.

What is the InChIKey of 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole?

The InChIKey is RWRONBDAFDIMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N5O/c1-27-15-18-36-34(21-27)35-25-41-40(24-38(35)42(36)2)45-37-14-7-6-13-32(37)33-17-16-31(23-39(33)45)46-30-12-8-11-29(22-30)44-20-19-43(26-44)28-9-4-3-5-10-28/h3-25H,26H2,1-2H3.

What are the key properties of 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole?

5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole has a molecular weight of 597.72 g/mol, XLogP of 9.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 162475982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).