2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile

C36H24N6O2 — CID 153414534

About 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile

2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile (PubChem CID 153414534) has the molecular formula C36H24N6O2 and a molecular weight of 572.63 g/mol. Its IUPAC name is 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
• PubChem CID: 153414534
• Molecular Formula: C36H24N6O2
• Molecular Weight: 572.63 g/mol
• Exact Mass: 572.20
• IUPAC Name: 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
• SMILES: COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(C#N)cc(C)cc6C#N)cn5)c4)cc32)c1
• InChI: InChI=1S/C36H24N6O2/c1-23-14-24(19-37)36(25(15-23)20-38)26-21-40-41(22-26)27-6-5-7-29(16-27)44-30-10-11-32-31-8-3-4-9-33(31)42(34(32)17-30)35-18-28(43-2)12-13-39-35/h3-18,21-22H,1-2H3
• InChIKey: UBSWACFVESDJAC-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 101.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.63
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?

The IUPAC name of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile (CID 153414534) is 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile.

What is the SMILES notation for 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?

The canonical SMILES for 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile is COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(C#N)cc(C)cc6C#N)cn5)c4)cc32)c1.

What is the InChIKey of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?

The InChIKey is UBSWACFVESDJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N6O2/c1-23-14-24(19-37)36(25(15-23)20-38)26-21-40-41(22-26)27-6-5-7-29(16-27)44-30-10-11-32-31-8-3-4-9-33(31)42(34(32)17-30)35-18-28(43-2)12-13-39-35/h3-18,21-22H,1-2H3.

What are the key properties of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?

2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile has a molecular weight of 572.63 g/mol, XLogP of 7.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 153414534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).