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

C80H62N4 — CID 58880960

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ncccn4)cc3-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ncccn8)ccc7-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C80H62N4/c1-77(2)67-17-11-9-15-57(67)59-31-21-49(43-71(59)77)55-27-25-53(75-81-35-13-36-82-75)39-65(55)51-23-33-63-61-29-19-47(41-69(61)79(5,6)73(63)45-51)48-20-30-62-64-34-24-52(46-74(64)80(7,8)70(62)42-48)66-40-54(76-83-37-14-38-84-76)26-28-56(66)50-22-32-60-58-16-10-12-18-68(58)78(3,4)72(60)44-50/h9-46H,1-8H3
InChIKeyDBJYMJVNVKHADP-UHFFFAOYSA-N
MW1079.40 g/mol
LogP20.16
Rot. Bonds7

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

2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine (PubChem CID 58880960) has the molecular formula C80H62N4 and a molecular weight of 1079.40 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-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-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine
PubChem CID58880960
Molecular FormulaC80H62N4
Molecular Weight1079.40 g/mol
Exact Mass1078.50
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ncccn4)cc3-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ncccn8)ccc7-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C80H62N4/c1-77(2)67-17-11-9-15-57(67)59-31-21-49(43-71(59)77)55-27-25-53(75-81-35-13-36-82-75)39-65(55)51-23-33-63-61-29-19-47(41-69(61)79(5,6)73(63)45-51)48-20-30-62-64-34-24-52(46-74(64)80(7,8)70(62)42-48)66-40-54(76-83-37-14-38-84-76)26-28-56(66)50-22-32-60-58-16-10-12-18-68(58)78(3,4)72(60)44-50/h9-46H,1-8H3
InChIKeyDBJYMJVNVKHADP-UHFFFAOYSA-N
XLogP20.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.40
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-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-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine (CID 58880960) is 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-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-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-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-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ncccn4)cc3-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ncccn8)ccc7-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine?
The InChIKey is DBJYMJVNVKHADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N4/c1-77(2)67-17-11-9-15-57(67)59-31-21-49(43-71(59)77)55-27-25-53(75-81-35-13-36-82-75)39-65(55)51-23-33-63-61-29-19-47(41-69(61)79(5,6)73(63)45-51)48-20-30-62-64-34-24-52(46-74(64)80(7,8)70(62)42-48)66-40-54(76-83-37-14-38-84-76)26-28-56(66)50-22-32-60-58-16-10-12-18-68(58)78(3,4)72(60)44-50/h9-46H,1-8H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine?
2-[4-(9,9-dimethylfluoren-2-yl)-3-[7-[7-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine has a molecular weight of 1079.40 g/mol, XLogP of 20.16, 7 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-[2-(9,9-dimethylfluoren-2-yl)-5-pyrimidin-2-ylphenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrimidine is sourced from PubChem (CID 58880960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).