N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine

C31H31N — CID 167340405

IUPACN-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C31H31N/c1-30(2,3)22-15-17-24(18-16-22)32(23-11-7-6-8-12-23)25-19-20-29-27(21-25)26-13-9-10-14-28(26)31(29,4)5/h6-21H,1-5H3
InChIKeyFNUOJHFHWUBYKL-UHFFFAOYSA-N
MW417.60 g/mol
LogP8.76
Rot. Bonds3

About N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine

N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine (PubChem CID 167340405) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
PubChem CID167340405
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC NameN-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C31H31N/c1-30(2,3)22-15-17-24(18-16-22)32(23-11-7-6-8-12-23)25-19-20-29-27(21-25)26-13-9-10-14-28(26)31(29,4)5/h6-21H,1-5H3
InChIKeyFNUOJHFHWUBYKL-UHFFFAOYSA-N
XLogP8.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89074314
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
CID 170410184
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389679

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine (CID 167340405) is N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C3(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
The InChIKey is FNUOJHFHWUBYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-30(2,3)22-15-17-24(18-16-22)32(23-11-7-6-8-12-23)25-19-20-29-27(21-25)26-13-9-10-14-28(26)31(29,4)5/h6-21H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine?
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine has a molecular weight of 417.60 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine is sourced from PubChem (CID 167340405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).