2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole

C143H89N13 — CID 134482857

About 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole

2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole (PubChem CID 134482857) has the molecular formula C143H89N13 and a molecular weight of 1989.38 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

• Compound Name: 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole
• PubChem CID: 134482857
• Molecular Formula: C143H89N13
• Molecular Weight: 1989.38 g/mol
• Exact Mass: 1987.74
• IUPAC Name: 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-n%11c%12ccccc%12c%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)cc%12%11)c%10)n9)c8)cccc76)n5)c4)c3)n2)cc1
• InChI: InChI=1S/C143H89N13/c1-7-34-90(35-8-1)122-88-123(102-43-29-40-93(78-102)94-41-30-44-103(79-94)140-144-124(91-36-9-2-10-37-91)89-137(147-140)155-129-64-28-23-58-115(129)121-84-97(71-77-132(121)155)98-66-72-116-111-54-19-24-60-125(111)153(134(116)85-98)108-51-17-6-18-52-108)146-143(145-122)156-133-65-33-59-110(138(133)118-74-68-100(87-136(118)156)96-70-76-131-120(83-96)114-57-22-27-63-128(114)152(131)107-49-15-5-16-50-107)101-42-31-45-104(80-101)141-148-139(92-38-11-3-12-39-92)149-142(150-141)105-46-32-53-109(81-105)154-126-61-25-20-55-112(126)117-73-67-99(86-135(117)154)95-69-75-130-119(82-95)113-56-21-26-62-127(113)151(130)106-47-13-4-14-48-106/h1-89H
• InChIKey: MOUXVDVUGXZKMR-UHFFFAOYSA-N
• XLogP: 36.04
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1989.38
LogP ≤ 5	36.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole (CID 134482857) is 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole.

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

The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-n%11c%12ccccc%12c%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)cc%12%11)c%10)n9)c8)cccc76)n5)c4)c3)n2)cc1.

What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole?

The InChIKey is MOUXVDVUGXZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H89N13/c1-7-34-90(35-8-1)122-88-123(102-43-29-40-93(78-102)94-41-30-44-103(79-94)140-144-124(91-36-9-2-10-37-91)89-137(147-140)155-129-64-28-23-58-115(129)121-84-97(71-77-132(121)155)98-66-72-116-111-54-19-24-60-125(111)153(134(116)85-98)108-51-17-6-18-52-108)146-143(145-122)156-133-65-33-59-110(138(133)118-74-68-100(87-136(118)156)96-70-76-131-120(83-96)114-57-22-27-63-128(114)152(131)107-49-15-5-16-50-107)101-42-31-45-104(80-101)141-148-139(92-38-11-3-12-39-92)149-142(150-141)105-46-32-53-109(81-105)154-126-61-25-20-55-112(126)117-73-67-99(86-135(117)154)95-69-75-130-119(82-95)113-56-21-26-62-127(113)151(130)106-47-13-4-14-48-106/h1-89H.

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

2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 1989.38 g/mol, XLogP of 36.04, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 134482857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).