N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine

C31H31N — CID 164550755

IUPACN-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c(c2)-c2ccccc2C3(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C31H31N/c1-30(2,3)22-15-18-29(25(19-22)21-11-7-6-8-12-21)32-23-16-17-28-26(20-23)24-13-9-10-14-27(24)31(28,4)5/h6-20,32H,1-5H3
InChIKeyYGWVJRVVXTVRBS-UHFFFAOYSA-N
MW417.60 g/mol
LogP8.70
Rot. Bonds3

About N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine

N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine (PubChem CID 164550755) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
PubChem CID164550755
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC NameN-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c(c2)-c2ccccc2C3(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C31H31N/c1-30(2,3)22-15-18-29(25(19-22)21-11-7-6-8-12-21)32-23-16-17-28-26(20-23)24-13-9-10-14-27(24)31(28,4)5/h6-20,32H,1-5H3
InChIKeyYGWVJRVVXTVRBS-UHFFFAOYSA-N
XLogP8.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
CID 134401870
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
CID 164550748
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine (CID 164550755) is N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine is CC(C)(C)c1ccc(Nc2ccc3c(c2)-c2ccccc2C3(C)C)c(-c2ccccc2)c1.
What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine?
The InChIKey is YGWVJRVVXTVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-30(2,3)22-15-18-29(25(19-22)21-11-7-6-8-12-21)32-23-16-17-28-26(20-23)24-13-9-10-14-27(24)31(28,4)5/h6-20,32H,1-5H3.
What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine?
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine has a molecular weight of 417.60 g/mol, XLogP of 8.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 164550755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).