3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole

C102H52N26S4 — CID 58099746

About 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole

3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 58099746) has the molecular formula C102H52N26S4 and a molecular weight of 1769.99 g/mol. Its IUPAC name is 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
• PubChem CID: 58099746
• Molecular Formula: C102H52N26S4
• Molecular Weight: 1769.99 g/mol
• Exact Mass: 1768.38
• IUPAC Name: 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
• SMILES: c1cc(-c2ncnc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8nccnc8-c8ncncn8)ccc76)cc5c4c3)n2)c2sc3c(-c4ncnc(-c5ccc6sc7ccc(-n8c9ccccc9c9cc(-c%10nccnc%10-c%10ncncn%10)ccc98)cc7c6c5)n4)cc(-c4ncnc(-c5ccc6sc7ccc(-c8nccnc8-c8ncncn8)cc7c6c5)n4)cc3c2c1
• InChI: InChI=1S/C102H52N26S4/c1-3-10-76-62(6-1)66-34-53(86-89(109-31-28-106-86)100-112-44-103-45-113-100)12-20-78(66)127(76)60-18-26-84-72(42-60)70-38-57(16-24-82(70)130-84)95-119-51-122-98(125-95)65-9-5-8-64-74-40-59(97-121-50-118-94(124-97)56-15-23-81-69(37-56)68-36-55(14-22-80(68)129-81)88-91(111-33-30-108-88)102-116-48-105-49-117-102)41-75(93(74)132-92(64)65)99-123-52-120-96(126-99)58-17-25-83-71(39-58)73-43-61(19-27-85(73)131-83)128-77-11-4-2-7-63(77)67-35-54(13-21-79(67)128)87-90(110-32-29-107-87)101-114-46-104-47-115-101/h1-52H
• InChIKey: NRPDYNFFXAUANA-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 319.22 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.99
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole?

The IUPAC name of 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole (CID 58099746) is 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole.

What is the SMILES notation for 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole?

The canonical SMILES for 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole is c1cc(-c2ncnc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8nccnc8-c8ncncn8)ccc76)cc5c4c3)n2)c2sc3c(-c4ncnc(-c5ccc6sc7ccc(-n8c9ccccc9c9cc(-c%10nccnc%10-c%10ncncn%10)ccc98)cc7c6c5)n4)cc(-c4ncnc(-c5ccc6sc7ccc(-c8nccnc8-c8ncncn8)cc7c6c5)n4)cc3c2c1.

What is the InChIKey of 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole?

The InChIKey is NRPDYNFFXAUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H52N26S4/c1-3-10-76-62(6-1)66-34-53(86-89(109-31-28-106-86)100-112-44-103-45-113-100)12-20-78(66)127(76)60-18-26-84-72(42-60)70-38-57(16-24-82(70)130-84)95-119-51-122-98(125-95)65-9-5-8-64-74-40-59(97-121-50-118-94(124-97)56-15-23-81-69(37-56)68-36-55(14-22-80(68)129-81)88-91(111-33-30-108-88)102-116-48-105-49-117-102)41-75(93(74)132-92(64)65)99-123-52-120-96(126-99)58-17-25-83-71(39-58)73-43-61(19-27-85(73)131-83)128-77-11-4-2-7-63(77)67-35-54(13-21-79(67)128)87-90(110-32-29-107-87)101-114-46-104-47-115-101/h1-52H.

What are the key properties of 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole?

3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 1769.99 g/mol, XLogP of 22.84, 14 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 58099746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).