3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene

C31H30 — CID 171740128

IUPAC3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(C)cc(-c2ccc3c(c2)-c2cc(-c4cc(C)cc(C)c4)ccc2C3(C)C)c1
InChIInChI=1S/C31H30/c1-19-11-20(2)14-25(13-19)23-7-9-29-27(17-23)28-18-24(8-10-30(28)31(29,5)6)26-15-21(3)12-22(4)16-26/h7-18H,1-6H3
InChIKeyAHBQROTYZDJDEX-UHFFFAOYSA-N
MW402.58 g/mol
LogP8.56
Rot. Bonds2

About 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene

3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene (PubChem CID 171740128) has the molecular formula C31H30 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene
PubChem CID171740128
Molecular FormulaC31H30
Molecular Weight402.58 g/mol
Exact Mass402.23
IUPAC Name3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene
SMILESCc1cc(C)cc(-c2ccc3c(c2)-c2cc(-c4cc(C)cc(C)c4)ccc2C3(C)C)c1
InChIInChI=1S/C31H30/c1-19-11-20(2)14-25(13-19)23-7-9-29-27(17-23)28-18-24(8-10-30(28)31(29,5)6)26-15-21(3)12-22(4)16-26/h7-18H,1-6H3
InChIKeyAHBQROTYZDJDEX-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181920
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol
CID 91334684
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2,6,9,9-tetramethylfluorene
CID 23527438
6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
CID 66594307
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-[6-(3,5-ditert-butylphenyl)-9,9-dimethylfluoren-3-yl]-7-methylphenanthrene-9,10-diimine
CID 67965995
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
CID 145377641
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene (CID 171740128) is 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene is Cc1cc(C)cc(-c2ccc3c(c2)-c2cc(-c4cc(C)cc(C)c4)ccc2C3(C)C)c1.
What is the InChIKey of 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene?
The InChIKey is AHBQROTYZDJDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30/c1-19-11-20(2)14-25(13-19)23-7-9-29-27(17-23)28-18-24(8-10-30(28)31(29,5)6)26-15-21(3)12-22(4)16-26/h7-18H,1-6H3.
What are the key properties of 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene?
3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene has a molecular weight of 402.58 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 171740128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).