4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole

C108H62N10S3 — CID 138622688

About 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole

4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 138622688) has the molecular formula C108H62N10S3 and a molecular weight of 1595.95 g/mol. Its IUPAC name is 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
• PubChem CID: 138622688
• Molecular Formula: C108H62N10S3
• Molecular Weight: 1595.95 g/mol
• Exact Mass: 1594.43
• IUPAC Name: 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc8sc9c(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccc%13sc%14ccc(-n%15c%16ccccc%16c%16cc(-n%17c%18ccccc%18c%18ccc%19c%20ccccc%20sc%19c%18%17)ccc%16%15)cc%14c%13c%12)n%11)cc%10)cccc9c8cc76)ccc54)cc3)n2)cc1
• InChI: InChI=1S/C108H62N10S3/c1-4-21-64(22-5-1)103-109-104(65-23-6-2-7-24-65)111-107(110-103)68-43-46-70(47-44-68)115-89-34-15-11-28-76(89)83-58-71(48-53-93(83)115)117-91-36-17-13-30-78(91)85-62-99-88(61-95(85)117)81-33-20-32-74(101(81)121-99)63-39-41-67(42-40-63)106-112-105(66-25-8-3-9-26-66)113-108(114-106)69-45-55-97-86(57-69)87-60-72(50-56-98(87)119-97)116-90-35-16-12-29-77(90)84-59-73(49-54-94(84)116)118-92-37-18-10-27-75(92)80-51-52-82-79-31-14-19-38-96(79)120-102(82)100(80)118/h1-62H
• InChIKey: GWGHFLGSUDSCFX-UHFFFAOYSA-N
• XLogP: 29.22
• TPSA: 97.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.95
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

The IUPAC name of 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole (CID 138622688) is 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole.

What is the SMILES notation for 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

The canonical SMILES for 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc8sc9c(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccc%13sc%14ccc(-n%15c%16ccccc%16c%16cc(-n%17c%18ccccc%18c%18ccc%19c%20ccccc%20sc%19c%18%17)ccc%16%15)cc%14c%13c%12)n%11)cc%10)cccc9c8cc76)ccc54)cc3)n2)cc1.

What is the InChIKey of 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

The InChIKey is GWGHFLGSUDSCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H62N10S3/c1-4-21-64(22-5-1)103-109-104(65-23-6-2-7-24-65)111-107(110-103)68-43-46-70(47-44-68)115-89-34-15-11-28-76(89)83-58-71(48-53-93(83)115)117-91-36-17-13-30-78(91)85-62-99-88(61-95(85)117)81-33-20-32-74(101(81)121-99)63-39-41-67(42-40-63)106-112-105(66-25-8-3-9-26-66)113-108(114-106)69-45-55-97-86(57-69)87-60-72(50-56-98(87)119-97)116-90-35-16-12-29-77(90)84-59-73(49-54-94(84)116)118-92-37-18-10-27-75(92)80-51-52-82-79-31-14-19-38-96(79)120-102(82)100(80)118/h1-62H.

What are the key properties of 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1595.95 g/mol, XLogP of 29.22, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 138622688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).