9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine

C46H32N2S2 — CID 171455179

IUPAC9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5sc(-c6ccccc6)nc5cc5c4sc4ccccc45)cc3)ccc21
InChIInChI=1S/C46H32N2S2/c1-46(2)38-19-11-9-17-34(38)36-27-33(25-26-39(36)46)48(31-15-7-4-8-16-31)32-23-21-29(22-24-32)42-43-37(35-18-10-12-20-41(35)49-43)28-40-44(42)50-45(47-40)30-13-5-3-6-14-30/h3-28H,1-2H3
InChIKeyACSNPMJTKFAXHH-UHFFFAOYSA-N
MW676.91 g/mol
LogP13.77
Rot. Bonds5

About 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine

9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine (PubChem CID 171455179) has the molecular formula C46H32N2S2 and a molecular weight of 676.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
PubChem CID171455179
Molecular FormulaC46H32N2S2
Molecular Weight676.91 g/mol
Exact Mass676.20
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5sc(-c6ccccc6)nc5cc5c4sc4ccccc45)cc3)ccc21
InChIInChI=1S/C46H32N2S2/c1-46(2)38-19-11-9-17-34(38)36-27-33(25-26-39(36)46)48(31-15-7-4-8-16-31)32-23-21-29(22-24-32)42-43-37(35-18-10-12-20-41(35)49-43)28-40-44(42)50-45(47-40)30-13-5-3-6-14-30/h3-28H,1-2H3
InChIKeyACSNPMJTKFAXHH-UHFFFAOYSA-N
XLogP13.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.91
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
CID 167128151
3-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 171455647
4-phenanthren-9-yl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]aniline
CID 171456298
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463220
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
7-N-[8-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-(4-phenylphenyl)-7-N-[8-(N-(4-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzothiophene-2,7-diamine
CID 157158501
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-6-phenylbenzo[a]fluoren-8-amine
CID 170372796
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-4-yl)phenyl]aniline
CID 171456288
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
CID 135277566

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine (CID 171455179) is 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5sc(-c6ccccc6)nc5cc5c4sc4ccccc45)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine?
The InChIKey is ACSNPMJTKFAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2S2/c1-46(2)38-19-11-9-17-34(38)36-27-33(25-26-39(36)46)48(31-15-7-4-8-16-31)32-23-21-29(22-24-32)42-43-37(35-18-10-12-20-41(35)49-43)28-40-44(42)50-45(47-40)30-13-5-3-6-14-30/h3-28H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine has a molecular weight of 676.91 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 171455179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).