2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene

C51H38 — CID 59217114

IUPAC2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C51H38/c1-51(2)49-33-39(45-29-41(35-15-7-3-8-16-35)27-42(30-45)36-17-9-4-10-18-36)23-25-47(49)48-26-24-40(34-50(48)51)46-31-43(37-19-11-5-12-20-37)28-44(32-46)38-21-13-6-14-22-38/h3-34H,1-2H3
InChIKeyYZAKKVALNJGANU-UHFFFAOYSA-N
MW650.87 g/mol
LogP13.99
Rot. Bonds6

About 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene

2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene (PubChem CID 59217114) has the molecular formula C51H38 and a molecular weight of 650.87 g/mol. Its IUPAC name is 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
PubChem CID59217114
Molecular FormulaC51H38
Molecular Weight650.87 g/mol
Exact Mass650.30
IUPAC Name2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C51H38/c1-51(2)49-33-39(45-29-41(35-15-7-3-8-16-35)27-42(30-45)36-17-9-4-10-18-36)23-25-47(49)48-26-24-40(34-50(48)51)46-31-43(37-19-11-5-12-20-37)28-44(32-46)38-21-13-6-14-22-38/h3-34H,1-2H3
InChIKeyYZAKKVALNJGANU-UHFFFAOYSA-N
XLogP13.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.87
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine
CID 148908083
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene (CID 59217114) is 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene is CC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21.
What is the InChIKey of 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene?
The InChIKey is YZAKKVALNJGANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38/c1-51(2)49-33-39(45-29-41(35-15-7-3-8-16-35)27-42(30-45)36-17-9-4-10-18-36)23-25-47(49)48-26-24-40(34-50(48)51)46-31-43(37-19-11-5-12-20-37)28-44(32-46)38-21-13-6-14-22-38/h3-34H,1-2H3.
What are the key properties of 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene?
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene has a molecular weight of 650.87 g/mol, XLogP of 13.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 59217114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).