4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine

C59H42N2 — CID 176794648

IUPAC4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5cc(-c6ccc7c(c6)-c6ccccc6C7(C)c6ccccc6)ccc5c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C59H42N2/c1-58(2)52-24-14-22-47(56(52)49-34-38-17-10-11-18-39(38)35-53(49)58)55-36-54(60-57(61-55)37-15-6-4-7-16-37)44-28-27-40-31-41(25-26-42(40)32-44)43-29-30-51-48(33-43)46-21-12-13-23-50(46)59(51,3)45-19-8-5-9-20-45/h4-36H,1-3H3
InChIKeyFOSLGMVOZAHWDU-UHFFFAOYSA-N
MW779.00 g/mol
LogP15.09
Rot. Bonds5

About 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine (PubChem CID 176794648) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine
PubChem CID176794648
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC Name4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5cc(-c6ccc7c(c6)-c6ccccc6C7(C)c6ccccc6)ccc5c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C59H42N2/c1-58(2)52-24-14-22-47(56(52)49-34-38-17-10-11-18-39(38)35-53(49)58)55-36-54(60-57(61-55)37-15-6-4-7-16-37)44-28-27-40-31-41(25-26-42(40)32-44)43-29-30-51-48(33-43)46-21-12-13-23-50(46)59(51,3)45-19-8-5-9-20-45/h4-36H,1-3H3
InChIKeyFOSLGMVOZAHWDU-UHFFFAOYSA-N
XLogP15.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 176793199
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]pyrimidine
CID 176793263
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
CID 176793584
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 176794885
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-(6-triphenylen-2-ylnaphthalen-2-yl)pyrimidine
CID 176794659
4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793512
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 176795340
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(9-methyl-9-phenylfluoren-1-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176794046
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 176794513
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793652
6-[4-[6-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-2-yl]phenyl]quinoline
CID 176795212
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]pyrimidine
CID 176793365

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine?
The IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine (CID 176794648) is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5cc(-c6ccc7c(c6)-c6ccccc6C7(C)c6ccccc6)ccc5c4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine?
The InChIKey is FOSLGMVOZAHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-58(2)52-24-14-22-47(56(52)49-34-38-17-10-11-18-39(38)35-53(49)58)55-36-54(60-57(61-55)37-15-6-4-7-16-37)44-28-27-40-31-41(25-26-42(40)32-44)43-29-30-51-48(33-43)46-21-12-13-23-50(46)59(51,3)45-19-8-5-9-20-45/h4-36H,1-3H3.
What are the key properties of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine?
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine has a molecular weight of 779.00 g/mol, XLogP of 15.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-(9-methyl-9-phenylfluoren-3-yl)naphthalen-2-yl]-2-phenylpyrimidine is sourced from PubChem (CID 176794648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).