12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole

C120H74N12 — CID 154982787

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole (PubChem CID 154982787) has the molecular formula C120H74N12 and a molecular weight of 1684.00 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
• PubChem CID: 154982787
• Molecular Formula: C120H74N12
• Molecular Weight: 1684.00 g/mol
• Exact Mass: 1682.62
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3cccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5cccc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7c6c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)n4)c3)n2)cc1
• InChI: InChI=1S/C120H74N12/c1-8-36-75(37-9-1)99-70-86(130-104-61-29-23-55-88(104)92-67-66-91-87-54-22-28-60-103(87)127(111(91)112(92)130)83-48-16-5-17-49-83)71-100(121-99)81-46-34-44-79(68-81)95-72-97-89-56-24-30-62-105(89)128(84-50-18-6-19-51-84)113(97)115-109(95)93-58-26-32-64-107(93)131(115)119-122-101(76-38-10-2-11-39-76)74-102(123-119)82-47-35-45-80(69-82)96-73-98-90-57-25-31-63-106(90)129(85-52-20-7-21-53-85)114(98)116-110(96)94-59-27-33-65-108(94)132(116)120-125-117(77-40-12-3-13-41-77)124-118(126-120)78-42-14-4-15-43-78/h1-74H
• InChIKey: VQQUSWGORJXZKW-UHFFFAOYSA-N
• XLogP: 29.98
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.00
LogP ≤ 5	29.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole (CID 154982787) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3cccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5cccc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7c6c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)n4)c3)n2)cc1.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole?

The InChIKey is VQQUSWGORJXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H74N12/c1-8-36-75(37-9-1)99-70-86(130-104-61-29-23-55-88(104)92-67-66-91-87-54-22-28-60-103(87)127(111(91)112(92)130)83-48-16-5-17-49-83)71-100(121-99)81-46-34-44-79(68-81)95-72-97-89-56-24-30-62-105(89)128(84-50-18-6-19-51-84)113(97)115-109(95)93-58-26-32-64-107(93)131(115)119-122-101(76-38-10-2-11-39-76)74-102(123-119)82-47-35-45-80(69-82)96-73-98-90-57-25-31-63-106(90)129(85-52-20-7-21-53-85)114(98)116-110(96)94-59-27-33-65-108(94)132(116)120-125-117(77-40-12-3-13-41-77)124-118(126-120)78-42-14-4-15-43-78/h1-74H.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 1684.00 g/mol, XLogP of 29.98, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 154982787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).