1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone

C35H26F3NO — CID 132534913

IUPAC1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone
SMILESCC1(C)c2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C35H26F3NO/c1-34(2)31-21-25(23-13-15-24(16-14-23)33(40)35(36,37)38)17-19-29(31)30-20-18-28(22-32(30)34)39(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-22H,1-2H3
InChIKeyNDJLJDGVQBNCCL-UHFFFAOYSA-N
MW533.59 g/mol
LogP9.87
Rot. Bonds5

About 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone

1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone (PubChem CID 132534913) has the molecular formula C35H26F3NO and a molecular weight of 533.59 g/mol. Its IUPAC name is 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone
PubChem CID132534913
Molecular FormulaC35H26F3NO
Molecular Weight533.59 g/mol
Exact Mass533.20
IUPAC Name1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone
SMILESCC1(C)c2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C35H26F3NO/c1-34(2)31-21-25(23-13-15-24(16-14-23)33(40)35(36,37)38)17-19-29(31)30-20-18-28(22-32(30)34)39(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-22H,1-2H3
InChIKeyNDJLJDGVQBNCCL-UHFFFAOYSA-N
XLogP9.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.59
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(N-(7,9,9-trimethylfluoren-2-yl)anilino)phenyl]benzoic acid
CID 139978978
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
2,2,2-trifluoro-1-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]ethanone
CID 90161708
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-[4-[[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-naphthalen-1-ylamino]phenyl]benzoic acid
CID 139978890
7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone (CID 132534913) is 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone is CC1(C)c2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is NDJLJDGVQBNCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26F3NO/c1-34(2)31-21-25(23-13-15-24(16-14-23)33(40)35(36,37)38)17-19-29(31)30-20-18-28(22-32(30)34)39(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-22H,1-2H3.
What are the key properties of 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone?
1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 533.59 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 132534913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).