11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole

C103H62ClN7S2 — CID 163552451

About 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole

11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole (PubChem CID 163552451) has the molecular formula C103H62ClN7S2 and a molecular weight of 1497.26 g/mol. Its IUPAC name is 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole
• PubChem CID: 163552451
• Molecular Formula: C103H62ClN7S2
• Molecular Weight: 1497.26 g/mol
• Exact Mass: 1495.42
• IUPAC Name: 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole
• SMILES: Clc1ccc2c(c1)sc1c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c21.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4c4sc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c34)n2)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
• InChI: InChI=1S/C51H30N4S.C35H20ClN3S.C17H12/c1-2-13-32(14-3-1)49-52-50(37-23-22-31-12-4-5-15-33(31)26-37)54-51(53-49)43-28-36-18-8-9-19-39(36)48-47(43)41-25-24-38(30-46(41)56-48)55-44-21-11-10-20-40(44)42-27-34-16-6-7-17-35(34)29-45(42)55;36-26-16-17-28-30(20-26)40-32-27-13-7-6-12-24(27)19-29(31(28)32)35-38-33(22-9-2-1-3-10-22)37-34(39-35)25-15-14-21-8-4-5-11-23(21)18-25;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-30H;1-20H;1-9,11H,10H2
• InChIKey: FKENFKWRVUJWLL-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 82.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1497.26
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole?

The IUPAC name of 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole (CID 163552451) is 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole.

What is the SMILES notation for 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole?

The canonical SMILES for 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole is Clc1ccc2c(c1)sc1c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c21.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4c4sc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c34)n2)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.

What is the InChIKey of 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole?

The InChIKey is FKENFKWRVUJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S.C35H20ClN3S.C17H12/c1-2-13-32(14-3-1)49-52-50(37-23-22-31-12-4-5-15-33(31)26-37)54-51(53-49)43-28-36-18-8-9-19-39(36)48-47(43)41-25-24-38(30-46(41)56-48)55-44-21-11-10-20-40(44)42-27-34-16-6-7-17-35(34)29-45(42)55;36-26-16-17-28-30(20-26)40-32-27-13-7-6-12-24(27)19-29(31(28)32)35-38-33(22-9-2-1-3-10-22)37-34(39-35)25-15-14-21-8-4-5-11-23(21)18-25;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-30H;1-20H;1-9,11H,10H2.

What are the key properties of 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole?

11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole has a molecular weight of 1497.26 g/mol, XLogP of 28.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole is sourced from PubChem (CID 163552451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).