6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole

C38H28FN3O — CID 140953092

About 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole

6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole (PubChem CID 140953092) has the molecular formula C38H28FN3O and a molecular weight of 561.66 g/mol. Its IUPAC name is 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole.

Molecular Properties

• Compound Name: 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
• PubChem CID: 140953092
• Molecular Formula: C38H28FN3O
• Molecular Weight: 561.66 g/mol
• Exact Mass: 561.22
• IUPAC Name: 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
• SMILES: CC1(C)c2ccccc2Oc2c(C(F)c3cccc(-c4ccccn4)c3)cc3c(c21)c1ccccc1n3-c1ccccn1
• InChI: InChI=1S/C38H28FN3O/c1-38(2)28-15-4-6-18-32(28)43-37-27(36(39)25-13-11-12-24(22-25)29-16-7-9-20-40-29)23-31-34(35(37)38)26-14-3-5-17-30(26)42(31)33-19-8-10-21-41-33/h3-23,36H,1-2H3
• InChIKey: KGZGBUOKDFLJCB-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.66
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?

The IUPAC name of 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole (CID 140953092) is 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole.

What is the SMILES notation for 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?

The canonical SMILES for 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole is CC1(C)c2ccccc2Oc2c(C(F)c3cccc(-c4ccccn4)c3)cc3c(c21)c1ccccc1n3-c1ccccn1.

What is the InChIKey of 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?

The InChIKey is KGZGBUOKDFLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28FN3O/c1-38(2)28-15-4-6-18-32(28)43-37-27(36(39)25-13-11-12-24(22-25)29-16-7-9-20-40-29)23-31-34(35(37)38)26-14-3-5-17-30(26)42(31)33-19-8-10-21-41-33/h3-23,36H,1-2H3.

What are the key properties of 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?

6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole has a molecular weight of 561.66 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole is sourced from PubChem (CID 140953092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).