2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C174H107N19O3S — CID 163597764

About 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 163597764) has the molecular formula C174H107N19O3S and a molecular weight of 2543.97 g/mol. Its IUPAC name is 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 163597764
• Molecular Formula: C174H107N19O3S
• Molecular Weight: 2543.97 g/mol
• Exact Mass: 2541.85
• IUPAC Name: 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)ccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)ccc3-n3c4ccccc4c4ccc5sc6ccccc6c5c43)n2)cc1
• InChI: InChI=1S/C61H37N7O.C58H38N6O.C55H32N6OS/c1-5-19-38(20-6-1)54-57-55(46-29-15-18-32-52(46)69-57)63-60(62-54)41-33-35-50(47(37-41)61-65-58(39-21-7-2-8-22-39)64-59(66-61)40-23-9-3-10-24-40)68-48-30-16-13-27-43(48)44-34-36-51-53(56(44)68)45-28-14-17-31-49(45)67(51)42-25-11-4-12-26-42;1-58(2)44-27-15-12-25-41(44)49-45(58)32-31-40-39-24-13-16-28-46(39)64(52(40)49)47-33-30-38(56-59-50(35-18-6-3-7-19-35)53-51(60-56)42-26-14-17-29-48(42)65-53)34-43(47)57-62-54(36-20-8-4-9-21-36)61-55(63-57)37-22-10-5-11-23-37;1-4-16-33(17-5-1)48-51-49(39-23-11-14-26-44(39)62-51)57-54(56-48)36-28-30-43(41(32-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-42-25-13-10-22-37(42)38-29-31-46-47(50(38)61)40-24-12-15-27-45(40)63-46/h1-37H;3-34H,1-2H3;1-32H
• InChIKey: GUYWVSXJFINQQU-UHFFFAOYSA-N
• XLogP: 43.75
• TPSA: 252.49 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.97
LogP ≤ 5	43.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 163597764) is 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)ccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)ccc3-n3c4ccccc4c4ccc5sc6ccccc6c5c43)n2)cc1.

What is the InChIKey of 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is GUYWVSXJFINQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N7O.C58H38N6O.C55H32N6OS/c1-5-19-38(20-6-1)54-57-55(46-29-15-18-32-52(46)69-57)63-60(62-54)41-33-35-50(47(37-41)61-65-58(39-21-7-2-8-22-39)64-59(66-61)40-23-9-3-10-24-40)68-48-30-16-13-27-43(48)44-34-36-51-53(56(44)68)45-28-14-17-31-49(45)67(51)42-25-11-4-12-26-42;1-58(2)44-27-15-12-25-41(44)49-45(58)32-31-40-39-24-13-16-28-46(39)64(52(40)49)47-33-30-38(56-59-50(35-18-6-3-7-19-35)53-51(60-56)42-26-14-17-29-48(42)65-53)34-43(47)57-62-54(36-20-8-4-9-21-36)61-55(63-57)37-22-10-5-11-23-37;1-4-16-33(17-5-1)48-51-49(39-23-11-14-26-44(39)62-51)57-54(56-48)36-28-30-43(41(32-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-42-25-13-10-22-37(42)38-29-31-46-47(50(38)61)40-24-12-15-27-45(40)63-46/h1-37H;3-34H,1-2H3;1-32H.

What are the key properties of 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?

2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2543.97 g/mol, XLogP of 43.75, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 163597764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).