2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol

C50H35N3OS — CID 170524304

About 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol

2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol (PubChem CID 170524304) has the molecular formula C50H35N3OS and a molecular weight of 725.92 g/mol. Its IUPAC name is 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
• PubChem CID: 170524304
• Molecular Formula: C50H35N3OS
• Molecular Weight: 725.92 g/mol
• Exact Mass: 725.25
• IUPAC Name: 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
• SMILES: Cc1cc(-c2c(-c3ccc4c(c3)sc3ccccc34)c3ccccc3n2C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)c2)n1
• InChI: InChI=1S/C50H35N3OS/c1-31-25-37(50-49(41-19-6-9-20-45(41)53(50)2)35-23-24-39-38-17-8-11-22-47(38)55-48(39)30-35)29-42(51-31)33-15-12-16-34(26-33)43-27-36(32-13-4-3-5-14-32)28-44(52-43)40-18-7-10-21-46(40)54/h3-30,54H,1-2H3
• InChIKey: SDABYTLVCVRCFR-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.92
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

The IUPAC name of 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol (CID 170524304) is 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol.

What is the SMILES notation for 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

The canonical SMILES for 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol is Cc1cc(-c2c(-c3ccc4c(c3)sc3ccccc34)c3ccccc3n2C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4O)n3)c2)n1.

What is the InChIKey of 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

The InChIKey is SDABYTLVCVRCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3OS/c1-31-25-37(50-49(41-19-6-9-20-45(41)53(50)2)35-23-24-39-38-17-8-11-22-47(38)55-48(39)30-35)29-42(51-31)33-15-12-16-34(26-33)43-27-36(32-13-4-3-5-14-32)28-44(52-43)40-18-7-10-21-46(40)54/h3-30,54H,1-2H3.

What are the key properties of 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol?

2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 725.92 g/mol, XLogP of 13.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(3-dibenzothiophen-3-yl-1-methylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 170524304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).