9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole

C92H62N8 — CID 58943479

IUPAC9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21
InChIInChI=1S/C92H62N8/c1-91(2)73-49-57(40-44-61(73)63-46-42-59(51-75(63)91)77-53-87(97-79-32-13-5-24-65(79)66-25-6-14-33-80(66)97)95-89(93-77)99-83-36-17-9-28-69(83)70-29-10-18-37-84(70)99)55-22-21-23-56(48-55)58-41-45-62-64-47-43-60(52-76(64)92(3,4)74(62)50-58)78-54-88(98-81-34-15-7-26-67(81)68-27-8-16-35-82(68)98)96-90(94-78)100-85-38-19-11-30-71(85)72-31-12-20-39-86(72)100/h5-54H,1-4H3
InChIKeyZDZLIRYEFJPODY-UHFFFAOYSA-N
MW1279.56 g/mol
LogP22.94
Rot. Bonds8

About 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole

9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole (PubChem CID 58943479) has the molecular formula C92H62N8 and a molecular weight of 1279.56 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole
PubChem CID58943479
Molecular FormulaC92H62N8
Molecular Weight1279.56 g/mol
Exact Mass1278.51
IUPAC Name9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21
InChIInChI=1S/C92H62N8/c1-91(2)73-49-57(40-44-61(73)63-46-42-59(51-75(63)91)77-53-87(97-79-32-13-5-24-65(79)66-25-6-14-33-80(66)97)95-89(93-77)99-83-36-17-9-28-69(83)70-29-10-18-37-84(70)99)55-22-21-23-56(48-55)58-41-45-62-64-47-43-60(52-76(64)92(3,4)74(62)50-58)78-54-88(98-81-34-15-7-26-67(81)68-27-8-16-35-82(68)98)96-90(94-78)100-85-38-19-11-30-71(85)72-31-12-20-39-86(72)100/h5-54H,1-4H3
InChIKeyZDZLIRYEFJPODY-UHFFFAOYSA-N
XLogP22.94
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.56
LogP ≤ 522.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole (CID 58943479) is 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole is CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21.
What is the InChIKey of 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole?
The InChIKey is ZDZLIRYEFJPODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H62N8/c1-91(2)73-49-57(40-44-61(73)63-46-42-59(51-75(63)91)77-53-87(97-79-32-13-5-24-65(79)66-25-6-14-33-80(66)97)95-89(93-77)99-83-36-17-9-28-69(83)70-29-10-18-37-84(70)99)55-22-21-23-56(48-55)58-41-45-62-64-47-43-60(52-76(64)92(3,4)74(62)50-58)78-54-88(98-81-34-15-7-26-67(81)68-27-8-16-35-82(68)98)96-90(94-78)100-85-38-19-11-30-71(85)72-31-12-20-39-86(72)100/h5-54H,1-4H3.
What are the key properties of 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole?
9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole has a molecular weight of 1279.56 g/mol, XLogP of 22.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-6-[7-[3-[7-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 58943479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).