9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole

C138H87N7 — CID 167237278

About 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole (PubChem CID 167237278) has the molecular formula C138H87N7 and a molecular weight of 1843.26 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
• PubChem CID: 167237278
• Molecular Formula: C138H87N7
• Molecular Weight: 1843.26 g/mol
• Exact Mass: 1841.70
• IUPAC Name: 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccc(-c6nc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)cc(-c7ccc(-c8cc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccccc%10c%10ccccc%109)c8)c8ccccc78)n6)cc5)c3-4)cc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C138H87N7/c1-6-36-89(37-7-1)135-139-125(87-126(141-135)111-78-76-102(105-48-16-18-50-107(105)111)91-38-34-47-99(80-91)143-128-62-28-21-53-113(128)114-54-22-29-63-129(114)143)93-73-75-119-123(84-93)138(97-43-12-4-13-44-97,98-45-14-5-15-46-98)121-61-35-59-104(134(119)121)88-68-70-90(71-69-88)136-140-124(92-72-74-110-109-52-20-27-60-120(109)137(122(110)83-92,95-39-8-2-9-40-95)96-41-10-3-11-42-96)86-127(142-136)112-79-77-103(106-49-17-19-51-108(106)112)94-81-100(144-130-64-30-23-55-115(130)116-56-24-31-65-131(116)144)85-101(82-94)145-132-66-32-25-57-117(132)118-58-26-33-67-133(118)145/h1-87H
• InChIKey: NCSYJHBSUSJQBJ-UHFFFAOYSA-N
• XLogP: 34.59
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1843.26
LogP ≤ 5	34.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole (CID 167237278) is 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccc(-c6nc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)cc(-c7ccc(-c8cc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccccc%10c%10ccccc%109)c8)c8ccccc78)n6)cc5)c3-4)cc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)n2)cc1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?

The InChIKey is NCSYJHBSUSJQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H87N7/c1-6-36-89(37-7-1)135-139-125(87-126(141-135)111-78-76-102(105-48-16-18-50-107(105)111)91-38-34-47-99(80-91)143-128-62-28-21-53-113(128)114-54-22-29-63-129(114)143)93-73-75-119-123(84-93)138(97-43-12-4-13-44-97,98-45-14-5-15-46-98)121-61-35-59-104(134(119)121)88-68-70-90(71-69-88)136-140-124(92-72-74-110-109-52-20-27-60-120(109)137(122(110)83-92,95-39-8-2-9-40-95)96-41-10-3-11-42-96)86-127(142-136)112-79-77-103(106-49-17-19-51-108(106)112)94-81-100(144-130-64-30-23-55-115(130)116-56-24-31-65-131(116)144)85-101(82-94)145-132-66-32-25-57-117(132)118-58-26-33-67-133(118)145/h1-87H.

What are the key properties of 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole?

9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole has a molecular weight of 1843.26 g/mol, XLogP of 34.59, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 167237278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).