2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine

C92H70N4 — CID 129303576

IUPAC2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5cccc6c5-c5ccc(-c7cccc8c7-c7ccccc7C8(C)C)cc5C6(C)C)n4)cc3)cc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c3-4)cc21
InChIInChI=1S/C92H70N4/c1-89(2)72-33-19-18-29-66(72)84-64(30-20-34-74(84)89)63-43-47-68-79(52-63)92(7,8)76-36-22-32-70(86(68)76)88-95-82(58-27-16-11-17-28-58)54-83(96-88)59-39-37-55(38-40-59)60-44-48-73-71(49-60)65-45-41-61(50-77(65)90(73,3)4)62-42-46-67-78(51-62)91(5,6)75-35-21-31-69(85(67)75)87-93-80(56-23-12-9-13-24-56)53-81(94-87)57-25-14-10-15-26-57/h9-54H,1-8H3
InChIKeyBMDPVDQJCRSYHG-UHFFFAOYSA-N
MW1231.60 g/mol
LogP23.49
Rot. Bonds9

About 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine

2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine (PubChem CID 129303576) has the molecular formula C92H70N4 and a molecular weight of 1231.60 g/mol. Its IUPAC name is 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine
PubChem CID129303576
Molecular FormulaC92H70N4
Molecular Weight1231.60 g/mol
Exact Mass1230.56
IUPAC Name2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5cccc6c5-c5ccc(-c7cccc8c7-c7ccccc7C8(C)C)cc5C6(C)C)n4)cc3)cc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c3-4)cc21
InChIInChI=1S/C92H70N4/c1-89(2)72-33-19-18-29-66(72)84-64(30-20-34-74(84)89)63-43-47-68-79(52-63)92(7,8)76-36-22-32-70(86(68)76)88-95-82(58-27-16-11-17-28-58)54-83(96-88)59-39-37-55(38-40-59)60-44-48-73-71(49-60)65-45-41-61(50-77(65)90(73,3)4)62-42-46-67-78(51-62)91(5,6)75-35-21-31-69(85(67)75)87-93-80(56-23-12-9-13-24-56)53-81(94-87)57-25-14-10-15-26-57/h9-54H,1-8H3
InChIKeyBMDPVDQJCRSYHG-UHFFFAOYSA-N
XLogP23.49
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.60
LogP ≤ 523.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine?
The IUPAC name of 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine (CID 129303576) is 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine?
The canonical SMILES for 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5cccc6c5-c5ccc(-c7cccc8c7-c7ccccc7C8(C)C)cc5C6(C)C)n4)cc3)cc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c3-4)cc21.
What is the InChIKey of 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine?
The InChIKey is BMDPVDQJCRSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H70N4/c1-89(2)72-33-19-18-29-66(72)84-64(30-20-34-74(84)89)63-43-47-68-79(52-63)92(7,8)76-36-22-32-70(86(68)76)88-95-82(58-27-16-11-17-28-58)54-83(96-88)59-39-37-55(38-40-59)60-44-48-73-71(49-60)65-45-41-61(50-77(65)90(73,3)4)62-42-46-67-78(51-62)91(5,6)75-35-21-31-69(85(67)75)87-93-80(56-23-12-9-13-24-56)53-81(94-87)57-25-14-10-15-26-57/h9-54H,1-8H3.
What are the key properties of 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine?
2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine has a molecular weight of 1231.60 g/mol, XLogP of 23.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-yl]-4-[4-[7-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-3-yl]phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 129303576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).