2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole

C52H36N6O3 — CID 158912779

About 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole

2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 158912779) has the molecular formula C52H36N6O3 and a molecular weight of 792.90 g/mol. Its IUPAC name is 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
• PubChem CID: 158912779
• Molecular Formula: C52H36N6O3
• Molecular Weight: 792.90 g/mol
• Exact Mass: 792.28
• IUPAC Name: 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
• SMILES: COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(C)ccn9)c8c7)c6)cn5)c4)cc32)c1
• InChI: InChI=1S/C52H36N6O3/c1-33-21-23-53-51(25-33)57-47-15-5-3-13-41(47)43-19-17-39(28-49(43)57)60-37-11-7-9-34(26-37)45-31-56-46(32-55-45)35-10-8-12-38(27-35)61-40-18-20-44-42-14-4-6-16-48(42)58(50(44)29-40)52-30-36(59-2)22-24-54-52/h3-32H,1-2H3
• InChIKey: JSGLDANVJLEGMP-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 89.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.90
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 158912779) is 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole is COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5cnc(-c6cccc(Oc7ccc8c9ccccc9n(-c9cc(C)ccn9)c8c7)c6)cn5)c4)cc32)c1.

What is the InChIKey of 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?

The InChIKey is JSGLDANVJLEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6O3/c1-33-21-23-53-51(25-33)57-47-15-5-3-13-41(47)43-19-17-39(28-49(43)57)60-37-11-7-9-34(26-37)45-31-56-46(32-55-45)35-10-8-12-38(27-35)61-40-18-20-44-42-14-4-6-16-48(42)58(50(44)29-40)52-30-36(59-2)22-24-54-52/h3-32H,1-2H3.

What are the key properties of 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?

2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 792.90 g/mol, XLogP of 12.70, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158912779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).