N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine

C28H22N2S — CID 166918119

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4nc5ccccc5s4)cc3)cc21
InChIInChI=1S/C28H22N2S/c1-28(2)23-8-4-3-7-21(23)22-16-15-20(17-24(22)28)29-19-13-11-18(12-14-19)27-30-25-9-5-6-10-26(25)31-27/h3-17,29H,1-2H3
InChIKeyGYNVXHKNFHSIKU-UHFFFAOYSA-N
MW418.57 g/mol
LogP8.01
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 166918119) has the molecular formula C28H22N2S and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID166918119
Molecular FormulaC28H22N2S
Molecular Weight418.57 g/mol
Exact Mass418.15
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4nc5ccccc5s4)cc3)cc21
InChIInChI=1S/C28H22N2S/c1-28(2)23-8-4-3-7-21(23)22-16-15-20(17-24(22)28)29-19-13-11-18(12-14-19)27-30-25-9-5-6-10-26(25)31-27/h3-17,29H,1-2H3
InChIKeyGYNVXHKNFHSIKU-UHFFFAOYSA-N
XLogP8.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[22-(1,3-benzothiazol-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzothiazole
CID 59413419
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
2-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 147671803
2-N,7-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 155473435
4-(1,3-benzothiazol-2-yl)aniline;2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N,7-N-tris(4-phenylphenyl)fluorene-2,7-diamine;N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylaniline;7-bromo-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-bromo-4-phenylbenzene
CID 160531878
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
CID 122498145
CID 122498145
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole
CID 145327611

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 166918119) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4nc5ccccc5s4)cc3)cc21.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is GYNVXHKNFHSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2S/c1-28(2)23-8-4-3-7-21(23)22-16-15-20(17-24(22)28)29-19-13-11-18(12-14-19)27-30-25-9-5-6-10-26(25)31-27/h3-17,29H,1-2H3.
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 418.57 g/mol, XLogP of 8.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 166918119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).