4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine

C60H42N2 — CID 176834778

IUPAC4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C60H42N2/c1-59(2)52-28-16-14-26-47(52)50-37-41(31-34-53(50)59)56-38-57(62-58(61-56)39-18-6-3-7-19-39)49-33-32-44(45-24-12-13-25-46(45)49)40-30-35-55-51(36-40)48-27-15-17-29-54(48)60(55,42-20-8-4-9-21-42)43-22-10-5-11-23-43/h3-38H,1-2H3
InChIKeyMRUXLQOHOBNBBM-UHFFFAOYSA-N
MW791.01 g/mol
LogP14.97
Rot. Bonds6

About 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine

4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 176834778) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
PubChem CID176834778
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C60H42N2/c1-59(2)52-28-16-14-26-47(52)50-37-41(31-34-53(50)59)56-38-57(62-58(61-56)39-18-6-3-7-19-39)49-33-32-44(45-24-12-13-25-46(45)49)40-30-35-55-51(36-40)48-27-15-17-29-54(48)60(55,42-20-8-4-9-21-42)43-22-10-5-11-23-43/h3-38H,1-2H3
InChIKeyMRUXLQOHOBNBBM-UHFFFAOYSA-N
XLogP14.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779038
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777603
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779800
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168779261
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-[4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776932
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776891

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine (CID 176834778) is 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
The InChIKey is MRUXLQOHOBNBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-59(2)52-28-16-14-26-47(52)50-37-41(31-34-53(50)59)56-38-57(62-58(61-56)39-18-6-3-7-19-39)49-33-32-44(45-24-12-13-25-46(45)49)40-30-35-55-51(36-40)48-27-15-17-29-54(48)60(55,42-20-8-4-9-21-42)43-22-10-5-11-23-43/h3-38H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine?
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine has a molecular weight of 791.01 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 176834778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).