2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene

C54H48 — CID 142604738

IUPAC2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene
SMILESC=Cc1ccccc1-c1cccc2c1-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccc(Cc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C31H28.C23H20/c1-30(2)26-11-7-5-9-22(26)24-15-13-20(18-28(24)30)17-21-14-16-25-23-10-6-8-12-27(23)31(3,4)29(25)19-21;1-4-16-10-5-6-11-17(16)18-13-9-15-21-22(18)19-12-7-8-14-20(19)23(21,2)3/h5-16,18-19H,17H2,1-4H3;4-15H,1H2,2-3H3
InChIKeyTUEHIGCVSXVHSF-UHFFFAOYSA-N
MW696.98 g/mol
LogP14.19
Rot. Bonds4

About 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene

2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene (PubChem CID 142604738) has the molecular formula C54H48 and a molecular weight of 696.98 g/mol. Its IUPAC name is 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene
PubChem CID142604738
Molecular FormulaC54H48
Molecular Weight696.98 g/mol
Exact Mass696.38
IUPAC Name2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene
SMILESC=Cc1ccccc1-c1cccc2c1-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccc(Cc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C31H28.C23H20/c1-30(2)26-11-7-5-9-22(26)24-15-13-20(18-28(24)30)17-21-14-16-25-23-10-6-8-12-27(23)31(3,4)29(25)19-21;1-4-16-10-5-6-11-17(16)18-13-9-15-21-22(18)19-12-7-8-14-20(19)23(21,2)3/h5-16,18-19H,17H2,1-4H3;4-15H,1H2,2-3H3
InChIKeyTUEHIGCVSXVHSF-UHFFFAOYSA-N
XLogP14.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.98
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
N-[2-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]methanimine
CID 144645565
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-ethenylnaphthalen-1-amine
CID 156757141
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
CID 174104017
CID 174104017
4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene (CID 142604738) is 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene is C=Cc1ccccc1-c1cccc2c1-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccc(Cc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene?
The InChIKey is TUEHIGCVSXVHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28.C23H20/c1-30(2)26-11-7-5-9-22(26)24-15-13-20(18-28(24)30)17-21-14-16-25-23-10-6-8-12-27(23)31(3,4)29(25)19-21;1-4-16-10-5-6-11-17(16)18-13-9-15-21-22(18)19-12-7-8-14-20(19)23(21,2)3/h5-16,18-19H,17H2,1-4H3;4-15H,1H2,2-3H3.
What are the key properties of 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene?
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene has a molecular weight of 696.98 g/mol, XLogP of 14.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethylfluorene;4-(2-ethenylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 142604738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).