2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole

C53H48N4S2 — CID 135250011

About 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole

2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (PubChem CID 135250011) has the molecular formula C53H48N4S2 and a molecular weight of 805.13 g/mol. Its IUPAC name is 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
• PubChem CID: 135250011
• Molecular Formula: C53H48N4S2
• Molecular Weight: 805.13 g/mol
• Exact Mass: 804.33
• IUPAC Name: 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
• SMILES: CC1(C)N=C(c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(C6=NC(C)(C)C(C)(C)S6)n5)c5ccccc5c3-4)n2)SC1(C)C
• InChI: InChI=1S/C53H48N4S2/c1-49(2)51(5,6)58-47(56-49)44-27-17-25-42(54-44)33-29-30-38-40(31-33)53(34-19-11-9-12-20-34,35-21-13-10-14-22-35)41-32-39(36-23-15-16-24-37(36)46(38)41)43-26-18-28-45(55-43)48-57-50(3,4)52(7,8)59-48/h9-32H,1-8H3
• InChIKey: HZKCSOROYUVJHO-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 50.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.13
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?

The IUPAC name of 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (CID 135250011) is 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.

What is the SMILES notation for 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?

The canonical SMILES for 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is CC1(C)N=C(c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(C6=NC(C)(C)C(C)(C)S6)n5)c5ccccc5c3-4)n2)SC1(C)C.

What is the InChIKey of 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?

The InChIKey is HZKCSOROYUVJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N4S2/c1-49(2)51(5,6)58-47(56-49)44-27-17-25-42(54-44)33-29-30-38-40(31-33)53(34-19-11-9-12-20-34,35-21-13-10-14-22-35)41-32-39(36-23-15-16-24-37(36)46(38)41)43-26-18-28-45(55-43)48-57-50(3,4)52(7,8)59-48/h9-32H,1-8H3.

What are the key properties of 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?

2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole has a molecular weight of 805.13 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is sourced from PubChem (CID 135250011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).