4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline

C59H39F6N — CID 101495641

IUPAC4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C3(c4ccc(C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)c2ccc(C3(c4ccc(C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H39F6N/c1-38-18-32-45(33-19-38)66(46-34-28-41(29-35-46)56(39-20-24-43(25-21-39)58(60,61)62)52-14-6-2-10-48(52)49-11-3-7-15-53(49)56)47-36-30-42(31-37-47)57(40-22-26-44(27-23-40)59(63,64)65)54-16-8-4-12-50(54)51-13-5-9-17-55(51)57/h2-37H,1H3
InChIKeyLKKBJWXTVXBZQF-UHFFFAOYSA-N
MW875.96 g/mol
LogP16.23
Rot. Bonds7

About 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline

4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline (PubChem CID 101495641) has the molecular formula C59H39F6N and a molecular weight of 875.96 g/mol. Its IUPAC name is 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline
PubChem CID101495641
Molecular FormulaC59H39F6N
Molecular Weight875.96 g/mol
Exact Mass875.30
IUPAC Name4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C3(c4ccc(C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)c2ccc(C3(c4ccc(C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H39F6N/c1-38-18-32-45(33-19-38)66(46-34-28-41(29-35-46)56(39-20-24-43(25-21-39)58(60,61)62)52-14-6-2-10-48(52)49-11-3-7-15-53(49)56)47-36-30-42(31-37-47)57(40-22-26-44(27-23-40)59(63,64)65)54-16-8-4-12-50(54)51-13-5-9-17-55(51)57/h2-37H,1H3
InChIKeyLKKBJWXTVXBZQF-UHFFFAOYSA-N
XLogP16.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.96
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 171749815
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-[4-(3,5-dimethylphenyl)-3,5-dimethylphenyl]-9-phenylfluoren-2-amine
CID 177067004

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline?
The IUPAC name of 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline (CID 101495641) is 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline?
The canonical SMILES for 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline is Cc1ccc(N(c2ccc(C3(c4ccc(C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)c2ccc(C3(c4ccc(C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline?
The InChIKey is LKKBJWXTVXBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39F6N/c1-38-18-32-45(33-19-38)66(46-34-28-41(29-35-46)56(39-20-24-43(25-21-39)58(60,61)62)52-14-6-2-10-48(52)49-11-3-7-15-53(49)56)47-36-30-42(31-37-47)57(40-22-26-44(27-23-40)59(63,64)65)54-16-8-4-12-50(54)51-13-5-9-17-55(51)57/h2-37H,1H3.
What are the key properties of 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline?
4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline has a molecular weight of 875.96 g/mol, XLogP of 16.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 101495641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).