2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine

C49H57N — CID 146208407

IUPAC2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine
SMILESC=Cc1ccc(C2(CCCCCC)c3cc(C(C)(C)C)ccc3-c3c(N(c4ccc(C)cc4)c4ccc(C)cc4)cc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C49H57N/c1-11-13-14-15-30-49(37-22-20-36(12-2)21-23-37)43-31-38(47(5,6)7)24-29-42(43)46-44(49)32-39(48(8,9)10)33-45(46)50(40-25-16-34(3)17-26-40)41-27-18-35(4)19-28-41/h12,16-29,31-33H,2,11,13-15,30H2,1,3-10H3
InChIKeyRNPQYKRNHRJOAE-UHFFFAOYSA-N
MW660.00 g/mol
LogP14.30
Rot. Bonds10

About 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine

2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine (PubChem CID 146208407) has the molecular formula C49H57N and a molecular weight of 660.00 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine
PubChem CID146208407
Molecular FormulaC49H57N
Molecular Weight660.00 g/mol
Exact Mass659.45
IUPAC Name2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine
SMILESC=Cc1ccc(C2(CCCCCC)c3cc(C(C)(C)C)ccc3-c3c(N(c4ccc(C)cc4)c4ccc(C)cc4)cc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C49H57N/c1-11-13-14-15-30-49(37-22-20-36(12-2)21-23-37)43-31-38(47(5,6)7)24-29-42(43)46-44(49)32-39(48(8,9)10)33-45(46)50(40-25-16-34(3)17-26-40)41-27-18-35(4)19-28-41/h12,16-29,31-33H,2,11,13-15,30H2,1,3-10H3
InChIKeyRNPQYKRNHRJOAE-UHFFFAOYSA-N
XLogP14.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.00
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-bromophenyl)-2,7-ditert-butyl-9,9-dihexylfluoren-4-amine
CID 135170285
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-ditert-butyl-N,N-bis(4-methylphenyl)fluoren-4-amine
CID 146208274
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258
9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene
CID 89274046
4-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-4-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-1,4-diamine
CID 140553757
9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155088287
2-tert-butyl-9-(3-hexyl-5-methylphenyl)-7-(2-methylbutan-2-yl)-9-[4-[4-(4-octylphenyl)phenyl]butyl]fluorene
CID 123995996
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
N-(9,9-dihexylfluoren-2-yl)-7-[3-(4-ethenylphenyl)-1-adamantyl]-9,9-dihexyl-N-(4-methylphenyl)fluoren-2-amine
CID 121422318
N-(4-tert-butylphenyl)-9-[6-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylfluoren-2-amine;N-[4-(4-tert-butylphenyl)phenyl]-9-[4-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]butyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylfluoren-2-amine
CID 159772190
9-(4-tert-butylphenyl)-N-[4-[4-[[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-naphthalen-1-ylfluoren-2-amine
CID 146516645

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine?
The IUPAC name of 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine (CID 146208407) is 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine.
What is the SMILES notation for 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine?
The canonical SMILES for 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine is C=Cc1ccc(C2(CCCCCC)c3cc(C(C)(C)C)ccc3-c3c(N(c4ccc(C)cc4)c4ccc(C)cc4)cc(C(C)(C)C)cc32)cc1.
What is the InChIKey of 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine?
The InChIKey is RNPQYKRNHRJOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H57N/c1-11-13-14-15-30-49(37-22-20-36(12-2)21-23-37)43-31-38(47(5,6)7)24-29-42(43)46-44(49)32-39(48(8,9)10)33-45(46)50(40-25-16-34(3)17-26-40)41-27-18-35(4)19-28-41/h12,16-29,31-33H,2,11,13-15,30H2,1,3-10H3.
What are the key properties of 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine?
2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine has a molecular weight of 660.00 g/mol, XLogP of 14.30, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine is sourced from PubChem (CID 146208407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).