3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene

C48H44 — CID 59782429

IUPAC3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
SMILESCc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4cc5c(cc4C)-c4ccccc4C5(C)C)c(C)cc1-3)C(C)(C)c1ccccc1-2
InChIInChI=1S/C48H44/c1-27-20-37-31-14-10-12-16-40(31)46(4,5)43(37)24-34(27)30-18-19-33-39-22-29(3)36(26-45(39)48(8,9)42(33)23-30)35-25-44-38(21-28(35)2)32-15-11-13-17-41(32)47(44,6)7/h10-26H,1-9H3
InChIKeyUGUSLLGNAGLIAT-UHFFFAOYSA-N
MW620.88 g/mol
LogP12.86
Rot. Bonds2

About 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene

3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene (PubChem CID 59782429) has the molecular formula C48H44 and a molecular weight of 620.88 g/mol. Its IUPAC name is 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
PubChem CID59782429
Molecular FormulaC48H44
Molecular Weight620.88 g/mol
Exact Mass620.34
IUPAC Name3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
SMILESCc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4cc5c(cc4C)-c4ccccc4C5(C)C)c(C)cc1-3)C(C)(C)c1ccccc1-2
InChIInChI=1S/C48H44/c1-27-20-37-31-14-10-12-16-40(31)46(4,5)43(37)24-34(27)30-18-19-33-39-22-29(3)36(26-45(39)48(8,9)42(33)23-30)35-25-44-38(21-28(35)2)32-15-11-13-17-41(32)47(44,6)7/h10-26H,1-9H3
InChIKeyUGUSLLGNAGLIAT-UHFFFAOYSA-N
XLogP12.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.88
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66721808
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340
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
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene
CID 70971884

Frequently Asked Questions

What is the IUPAC name of 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene?
The IUPAC name of 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene (CID 59782429) is 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene.
What is the SMILES notation for 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene?
The canonical SMILES for 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene is Cc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4cc5c(cc4C)-c4ccccc4C5(C)C)c(C)cc1-3)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene?
The InChIKey is UGUSLLGNAGLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44/c1-27-20-37-31-14-10-12-16-40(31)46(4,5)43(37)24-34(27)30-18-19-33-39-22-29(3)36(26-45(39)48(8,9)42(33)23-30)35-25-44-38(21-28(35)2)32-15-11-13-17-41(32)47(44,6)7/h10-26H,1-9H3.
What are the key properties of 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene?
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene has a molecular weight of 620.88 g/mol, XLogP of 12.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene is sourced from PubChem (CID 59782429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).