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

C115H150 — CID 158121103

IUPAC1,5-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
SMILESCC(C)(C)c1ccc2c(c1)-c1cccc(C(C)(C)C)c1C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1c-2cccc1C(C)(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(C(C)(C)C)c1-2.CC(C)(C)c1cccc2c1-c1cccc(C(C)(C)C)c1C2(C)C.CC(C)(C)c1cccc2c1C(C)(C)c1c-2cccc1C(C)(C)C
InChIInChI=1S/5C23H30/c1-21(2,3)16-12-10-13-17-19(16)15-11-9-14-18(22(4,5)6)20(15)23(17,7)8;1-21(2,3)17-13-9-11-15-16-12-10-14-18(22(4,5)6)20(16)23(7,8)19(15)17;1-21(2,3)15-12-13-16-19(14-15)23(7,8)18-11-9-10-17(20(16)18)22(4,5)6;1-21(2,3)15-12-13-16-17-10-9-11-18(22(4,5)6)20(17)23(7,8)19(16)14-15;1-21(2,3)15-12-13-18-17(14-15)16-10-9-11-19(22(4,5)6)20(16)23(18,7)8/h5*9-14H,1-8H3
InChIKeyFRPQLKRYLSHVPZ-UHFFFAOYSA-N
MW1532.46 g/mol
LogP32.94
Rot. Bonds

About 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

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 (PubChem CID 158121103) has the molecular formula C115H150 and a molecular weight of 1532.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-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
PubChem CID158121103
Molecular FormulaC115H150
Molecular Weight1532.46 g/mol
Exact Mass1531.17
IUPAC Name1,5-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
SMILESCC(C)(C)c1ccc2c(c1)-c1cccc(C(C)(C)C)c1C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1c-2cccc1C(C)(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(C(C)(C)C)c1-2.CC(C)(C)c1cccc2c1-c1cccc(C(C)(C)C)c1C2(C)C.CC(C)(C)c1cccc2c1C(C)(C)c1c-2cccc1C(C)(C)C
InChIInChI=1S/5C23H30/c1-21(2,3)16-12-10-13-17-19(16)15-11-9-14-18(22(4,5)6)20(15)23(17,7)8;1-21(2,3)17-13-9-11-15-16-12-10-14-18(22(4,5)6)20(16)23(7,8)19(15)17;1-21(2,3)15-12-13-16-19(14-15)23(7,8)18-11-9-10-17(20(16)18)22(4,5)6;1-21(2,3)15-12-13-16-17-10-9-11-18(22(4,5)6)20(17)23(7,8)19(16)14-15;1-21(2,3)15-12-13-18-17(14-15)16-10-9-11-19(22(4,5)6)20(16)23(18,7)8/h5*9-14H,1-8H3
InChIKeyFRPQLKRYLSHVPZ-UHFFFAOYSA-N
XLogP32.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.46
LogP ≤ 532.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
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
1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;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]
CID 157336148
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
1,4,6-tritert-butyl-9,9-dimethylfluorene
CID 168803063
8-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;11,11-dimethyl-1-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-2-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-3-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-4-propan-2-ylbenzo[b]fluorene
CID 159909633
5-tert-butyl-2-isocyano-9,9-dimethylfluorene
CID 164818788
2,4-ditert-butyl-9,9-dimethylfluorene
CID 140861200
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
CID 170144166
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine
CID 176605468
5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 168802398
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 177067969

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)-c1cccc(C(C)(C)C)c1C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1c-2cccc1C(C)(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(C(C)(C)C)c1-2.CC(C)(C)c1cccc2c1-c1cccc(C(C)(C)C)c1C2(C)C.CC(C)(C)c1cccc2c1C(C)(C)c1c-2cccc1C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is FRPQLKRYLSHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C23H30/c1-21(2,3)16-12-10-13-17-19(16)15-11-9-14-18(22(4,5)6)20(15)23(17,7)8;1-21(2,3)17-13-9-11-15-16-12-10-14-18(22(4,5)6)20(16)23(7,8)19(15)17;1-21(2,3)15-12-13-16-19(14-15)23(7,8)18-11-9-10-17(20(16)18)22(4,5)6;1-21(2,3)15-12-13-16-17-10-9-11-18(22(4,5)6)20(17)23(7,8)19(16)14-15;1-21(2,3)15-12-13-18-17(14-15)16-10-9-11-19(22(4,5)6)20(16)23(18,7)8/h5*9-14H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1532.46 g/mol, XLogP of 32.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158121103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).