4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene

C42H47N — CID 91449585

IUPAC4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
SMILESCc1ccc(N(c2ccccc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C25H29N.C17H18/c1-18-12-14-23(15-13-18)26(22-10-8-7-9-11-22)24-19(2)16-21(17-20(24)3)25(4,5)6;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h7-17H,1-6H3;5-10H,1-4H3
InChIKeyIEUOPABVFIVKRM-UHFFFAOYSA-N
MW565.85 g/mol
LogP11.99
Rot. Bonds3

About 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene

4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene (PubChem CID 91449585) has the molecular formula C42H47N and a molecular weight of 565.85 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
PubChem CID91449585
Molecular FormulaC42H47N
Molecular Weight565.85 g/mol
Exact Mass565.37
IUPAC Name4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
SMILESCc1ccc(N(c2ccccc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C25H29N.C17H18/c1-18-12-14-23(15-13-18)26(22-10-8-7-9-11-22)24-19(2)16-21(17-20(24)3)25(4,5)6;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h7-17H,1-6H3;5-10H,1-4H3
InChIKeyIEUOPABVFIVKRM-UHFFFAOYSA-N
XLogP11.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.85
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480532
1-N-(4-tert-butyl-2,6-dimethylphenyl)-4-N-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-1-N-phenyl-4-N-(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 59426672
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N-[4-(4-tert-butylphenyl)phenyl]-4-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480578
7-[(E)-2-[7-(N-(4-tert-butylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068171
7-[(E)-2-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067561
4-[4-(N-(7,9,9-trimethylfluoren-2-yl)anilino)phenyl]benzoic acid
CID 139978978
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline;N-[4-[4-[4-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-2-amine
CID 159675939
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene (CID 91449585) is 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene is Cc1ccc(N(c2ccccc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene?
The InChIKey is IEUOPABVFIVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N.C17H18/c1-18-12-14-23(15-13-18)26(22-10-8-7-9-11-22)24-19(2)16-21(17-20(24)3)25(4,5)6;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h7-17H,1-6H3;5-10H,1-4H3.
What are the key properties of 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene?
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene has a molecular weight of 565.85 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 91449585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).