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

C46H32N2OS — CID 167128151

IUPAC9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5oc6ccccc6c5cc5nc(-c6ccccc6)sc45)cc3)ccc21
InChIInChI=1S/C46H32N2OS/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
InChIKeyVPKOFHIFGQJTKL-UHFFFAOYSA-N
MW660.84 g/mol
LogP13.31
Rot. Bonds5

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

9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine (PubChem CID 167128151) has the molecular formula C46H32N2OS and a molecular weight of 660.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[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]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
PubChem CID167128151
Molecular FormulaC46H32N2OS
Molecular Weight660.84 g/mol
Exact Mass660.22
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5oc6ccccc6c5cc5nc(-c6ccccc6)sc45)cc3)ccc21
InChIInChI=1S/C46H32N2OS/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
InChIKeyVPKOFHIFGQJTKL-UHFFFAOYSA-N
XLogP13.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.84
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 167128162
3-N-dibenzofuran-2-yl-3-N-(9,9-dimethyl-2-phenylindeno[2,1-f][1,3]benzothiazol-4-yl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 172504291
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzothiazol-4-amine
CID 167129708
N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139556418
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[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]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine (CID 167128151) is 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[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]benzofuro[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]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5oc6ccccc6c5cc5nc(-c6ccccc6)sc45)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine?
The InChIKey is VPKOFHIFGQJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2OS/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]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine has a molecular weight of 660.84 g/mol, XLogP of 13.31, 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]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 167128151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).