2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine

C95H74N4 — CID 58881195

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ncccn6)ccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ncccn6)ccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C95H74N4/c1-91(2)79-19-13-11-17-67(79)69-37-25-59(51-85(69)91)65-31-29-63(89-96-41-15-42-97-89)45-77(65)61-27-39-75-73-35-23-57(49-83(73)94(7,8)87(75)53-61)55-21-33-71-72-34-22-56(48-82(72)93(5,6)81(71)47-55)58-24-36-74-76-40-28-62(54-88(76)95(9,10)84(74)50-58)78-46-64(90-98-43-16-44-99-90)30-32-66(78)60-26-38-70-68-18-12-14-20-80(68)92(3,4)86(70)52-60/h11-54H,1-10H3
InChIKeyZWMPZZDSEMPHSJ-UHFFFAOYSA-N
MW1271.66 g/mol
LogP24.13
Rot. Bonds8

About 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine

2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine (PubChem CID 58881195) has the molecular formula C95H74N4 and a molecular weight of 1271.66 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine
PubChem CID58881195
Molecular FormulaC95H74N4
Molecular Weight1271.66 g/mol
Exact Mass1270.59
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ncccn6)ccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ncccn6)ccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C95H74N4/c1-91(2)79-19-13-11-17-67(79)69-37-25-59(51-85(69)91)65-31-29-63(89-96-41-15-42-97-89)45-77(65)61-27-39-75-73-35-23-57(49-83(73)94(7,8)87(75)53-61)55-21-33-71-72-34-22-56(48-82(72)93(5,6)81(71)47-55)58-24-36-74-76-40-28-62(54-88(76)95(9,10)84(74)50-58)78-46-64(90-98-43-16-44-99-90)30-32-66(78)60-26-38-70-68-18-12-14-20-80(68)92(3,4)86(70)52-60/h11-54H,1-10H3
InChIKeyZWMPZZDSEMPHSJ-UHFFFAOYSA-N
XLogP24.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.66
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine (CID 58881195) is 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ncccn6)ccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ncccn6)ccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine?
The InChIKey is ZWMPZZDSEMPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H74N4/c1-91(2)79-19-13-11-17-67(79)69-37-25-59(51-85(69)91)65-31-29-63(89-96-41-15-42-97-89)45-77(65)61-27-39-75-73-35-23-57(49-83(73)94(7,8)87(75)53-61)55-21-33-71-72-34-22-56(48-82(72)93(5,6)81(71)47-55)58-24-36-74-76-40-28-62(54-88(76)95(9,10)84(74)50-58)78-46-64(90-98-43-16-44-99-90)30-32-66(78)60-26-38-70-68-18-12-14-20-80(68)92(3,4)86(70)52-60/h11-54H,1-10H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine?
2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine has a molecular weight of 1271.66 g/mol, XLogP of 24.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine is sourced from PubChem (CID 58881195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).