2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene

C38H34 — CID 58943521

IUPAC2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)c3)ccc1-2
InChIInChI=1S/C38H34/c1-23-10-14-29-31-16-12-27(21-35(31)37(3,4)33(29)18-23)25-8-7-9-26(20-25)28-13-17-32-30-15-11-24(2)19-34(30)38(5,6)36(32)22-28/h7-22H,1-6H3
InChIKeyXJAUVNFZKBIUMF-UHFFFAOYSA-N
MW490.69 g/mol
LogP10.25
Rot. Bonds2

About 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene

2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene (PubChem CID 58943521) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene.

Molecular Properties

Compound Name2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
PubChem CID58943521
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)c3)ccc1-2
InChIInChI=1S/C38H34/c1-23-10-14-29-31-16-12-27(21-35(31)37(3,4)33(29)18-23)25-8-7-9-26(20-25)28-13-17-32-30-15-11-24(2)19-34(30)38(5,6)36(32)22-28/h7-22H,1-6H3
InChIKeyXJAUVNFZKBIUMF-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
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
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene?
The IUPAC name of 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene (CID 58943521) is 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene.
What is the SMILES notation for 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene?
The canonical SMILES for 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene is Cc1ccc2c(c1)C(C)(C)c1cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(C)ccc4-5)c3)ccc1-2.
What is the InChIKey of 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene?
The InChIKey is XJAUVNFZKBIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34/c1-23-10-14-29-31-16-12-27(21-35(31)37(3,4)33(29)18-23)25-8-7-9-26(20-25)28-13-17-32-30-15-11-24(2)19-34(30)38(5,6)36(32)22-28/h7-22H,1-6H3.
What are the key properties of 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene?
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene has a molecular weight of 490.69 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene is sourced from PubChem (CID 58943521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).