N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine

C32H39NO2 — CID 175403761

IUPACN-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine
SMILESCC(C)(C)c1ccc(Nc2cc3c(cc2C2OC(C)(C)C(C)(C)O2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C32H39NO2/c1-29(2,3)20-14-16-21(17-15-20)33-27-19-26-23(22-12-10-11-13-25(22)30(26,4)5)18-24(27)28-34-31(6,7)32(8,9)35-28/h10-19,28,33H,1-9H3
InChIKeyHTGCLRVJTBOMOF-UHFFFAOYSA-N
MW469.67 g/mol
LogP8.64
Rot. Bonds3

About N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine

N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine (PubChem CID 175403761) has the molecular formula C32H39NO2 and a molecular weight of 469.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine
PubChem CID175403761
Molecular FormulaC32H39NO2
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC NameN-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine
SMILESCC(C)(C)c1ccc(Nc2cc3c(cc2C2OC(C)(C)C(C)(C)O2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C32H39NO2/c1-29(2,3)20-14-16-21(17-15-20)33-27-19-26-23(22-12-10-11-13-25(22)30(26,4)5)18-24(27)28-34-31(6,7)32(8,9)35-28/h10-19,28,33H,1-9H3
InChIKeyHTGCLRVJTBOMOF-UHFFFAOYSA-N
XLogP8.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
9,9-dimethyl-N-(4-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine
CID 164550724
CID 174016389
CID 174016389
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-(4-tert-butylphenyl)-6,6,9,9,11,11-hexamethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydrobenzo[b]fluoren-2-amine
CID 169180076
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
CID 134401870
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 174318657
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801
4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161077645

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine (CID 175403761) is N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine is CC(C)(C)c1ccc(Nc2cc3c(cc2C2OC(C)(C)C(C)(C)O2)-c2ccccc2C3(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine?
The InChIKey is HTGCLRVJTBOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2/c1-29(2,3)20-14-16-21(17-15-20)33-27-19-26-23(22-12-10-11-13-25(22)30(26,4)5)18-24(27)28-34-31(6,7)32(8,9)35-28/h10-19,28,33H,1-9H3.
What are the key properties of N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine?
N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine has a molecular weight of 469.67 g/mol, XLogP of 8.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine is sourced from PubChem (CID 175403761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).