1,4,6-tritert-butyl-9,9-dimethylfluorene

C27H38 — CID 168803063

IUPAC1,4,6-tritert-butyl-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1c(C(C)(C)C)ccc(C(C)(C)C)c1C2(C)C
InChIInChI=1S/C27H38/c1-24(2,3)17-12-13-19-18(16-17)22-20(25(4,5)6)14-15-21(26(7,8)9)23(22)27(19,10)11/h12-16H,1-11H3
InChIKeyYCIGLVOVVZQSRV-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.89
Rot. Bonds

About 1,4,6-tritert-butyl-9,9-dimethylfluorene

1,4,6-tritert-butyl-9,9-dimethylfluorene (PubChem CID 168803063) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1,4,6-tritert-butyl-9,9-dimethylfluorene.

Molecular Properties

Compound Name1,4,6-tritert-butyl-9,9-dimethylfluorene
PubChem CID168803063
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name1,4,6-tritert-butyl-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1c(C(C)(C)C)ccc(C(C)(C)C)c1C2(C)C
InChIInChI=1S/C27H38/c1-24(2,3)17-12-13-19-18(16-17)22-20(25(4,5)6)14-15-21(26(7,8)9)23(22)27(19,10)11/h12-16H,1-11H3
InChIKeyYCIGLVOVVZQSRV-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4,6-tritert-butyl-9,9-dimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-ditert-butyl-9,9-dimethylfluorene;1,6-ditert-butyl-9,9-dimethylfluorene;1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butyl-9,9-dimethylfluorene
CID 158121103
1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 165098944
5,20-ditert-butyl-9,9,24,24-tetramethyloctacyclo[13.13.2.02,10.03,8.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene
CID 123476022
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
4-tert-butyl-9,9-dimethyl-N-phenylfluoren-1-amine
CID 175017589
2,4-ditert-butyl-9,9-dimethylfluorene
CID 140861200
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene
CID 159615865
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 122216790
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 178120432
5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308725

Frequently Asked Questions

What is the IUPAC name of 1,4,6-tritert-butyl-9,9-dimethylfluorene?
The IUPAC name of 1,4,6-tritert-butyl-9,9-dimethylfluorene (CID 168803063) is 1,4,6-tritert-butyl-9,9-dimethylfluorene.
What is the SMILES notation for 1,4,6-tritert-butyl-9,9-dimethylfluorene?
The canonical SMILES for 1,4,6-tritert-butyl-9,9-dimethylfluorene is CC(C)(C)c1ccc2c(c1)-c1c(C(C)(C)C)ccc(C(C)(C)C)c1C2(C)C.
What is the InChIKey of 1,4,6-tritert-butyl-9,9-dimethylfluorene?
The InChIKey is YCIGLVOVVZQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-24(2,3)17-12-13-19-18(16-17)22-20(25(4,5)6)14-15-21(26(7,8)9)23(22)27(19,10)11/h12-16H,1-11H3.
What are the key properties of 1,4,6-tritert-butyl-9,9-dimethylfluorene?
1,4,6-tritert-butyl-9,9-dimethylfluorene has a molecular weight of 362.60 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-tritert-butyl-9,9-dimethylfluorene is sourced from PubChem (CID 168803063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).