2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine

C63H37N3O2S — CID 156530703

About 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine

2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine (PubChem CID 156530703) has the molecular formula C63H37N3O2S and a molecular weight of 900.07 g/mol. Its IUPAC name is 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine
• PubChem CID: 156530703
• Molecular Formula: C63H37N3O2S
• Molecular Weight: 900.07 g/mol
• Exact Mass: 899.26
• IUPAC Name: 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2sc(-c3ccccc3)c3c2-c2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)OCc5ccccc5-6)nc(-c5ccc6c(c5)oc5ccccc56)n4)cccc32)cc1
• InChI: InChI=1S/C63H37N3O2S/c1-3-16-37(17-4-1)58-56-47-24-10-13-27-50(47)63(57(56)59(69-58)38-18-5-2-6-19-38)49-26-12-9-23-46(49)55-48(25-15-28-51(55)63)62-65-60(39-30-32-44-42-21-8-7-20-41(42)36-67-53(44)34-39)64-61(66-62)40-31-33-45-43-22-11-14-29-52(43)68-54(45)35-40/h1-35H,36H2
• InChIKey: HGPRECVLKZIAKJ-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 61.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.07
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine?

The IUPAC name of 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine (CID 156530703) is 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine is c1ccc(-c2sc(-c3ccccc3)c3c2-c2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)OCc5ccccc5-6)nc(-c5ccc6c(c5)oc5ccccc56)n4)cccc32)cc1.

What is the InChIKey of 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine?

The InChIKey is HGPRECVLKZIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N3O2S/c1-3-16-37(17-4-1)58-56-47-24-10-13-27-50(47)63(57(56)59(69-58)38-18-5-2-6-19-38)49-26-12-9-23-46(49)55-48(25-15-28-51(55)63)62-65-60(39-30-32-44-42-21-8-7-20-41(42)36-67-53(44)34-39)64-61(66-62)40-31-33-45-43-22-11-14-29-52(43)68-54(45)35-40/h1-35H,36H2.

What are the key properties of 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine?

2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine has a molecular weight of 900.07 g/mol, XLogP of 16.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine is sourced from PubChem (CID 156530703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).