9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole

C38H34N4O2S2 — CID 153414255

About 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153414255) has the molecular formula C38H34N4O2S2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153414255
• Molecular Formula: C38H34N4O2S2
• Molecular Weight: 642.85 g/mol
• Exact Mass: 642.21
• IUPAC Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole
• SMILES: COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(SC)c(C)c(C)c(C)c6SC)cn5)c4)cc32)c1
• InChI: InChI=1S/C38H34N4O2S2/c1-23-24(2)37(45-5)36(38(46-6)25(23)3)26-21-40-41(22-26)27-10-9-11-29(18-27)44-30-14-15-32-31-12-7-8-13-33(31)42(34(32)19-30)35-20-28(43-4)16-17-39-35/h7-22H,1-6H3
• InChIKey: DZCXEZMNDGLYSG-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 54.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.85
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole (CID 153414255) is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole is COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(SC)c(C)c(C)c(C)c6SC)cn5)c4)cc32)c1.

What is the InChIKey of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

The InChIKey is DZCXEZMNDGLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O2S2/c1-23-24(2)37(45-5)36(38(46-6)25(23)3)26-21-40-41(22-26)27-10-9-11-29(18-27)44-30-14-15-32-31-12-7-8-13-33(31)42(34(32)19-30)35-20-28(43-4)16-17-39-35/h7-22H,1-6H3.

What are the key properties of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 642.85 g/mol, XLogP of 10.20, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153414255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).