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

C52H37N3OS — CID 172504291

IUPAC3-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
SMILESCC1(C)c2ccccc2-c2c1cc1nc(-c3ccccc3)sc1c2N(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C52H37N3OS/c1-52(2)43-27-14-12-26-41(43)48-44(52)33-45-50(57-51(53-45)34-17-6-3-7-18-34)49(48)55(39-29-30-47-42(32-39)40-25-13-15-28-46(40)56-47)38-24-16-23-37(31-38)54(35-19-8-4-9-20-35)36-21-10-5-11-22-36/h3-33H,1-2H3
InChIKeySRHCFCTYQPIUQE-UHFFFAOYSA-N
MW751.96 g/mol
LogP15.11
Rot. Bonds7

About 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

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 (PubChem CID 172504291) has the molecular formula C52H37N3OS and a molecular weight of 751.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID172504291
Molecular FormulaC52H37N3OS
Molecular Weight751.96 g/mol
Exact Mass751.27
IUPAC Name3-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
SMILESCC1(C)c2ccccc2-c2c1cc1nc(-c3ccccc3)sc1c2N(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C52H37N3OS/c1-52(2)43-27-14-12-26-41(43)48-44(52)33-45-50(57-51(53-45)34-17-6-3-7-18-34)49(48)55(39-29-30-47-42(32-39)40-25-13-15-28-46(40)56-47)38-24-16-23-37(31-38)54(35-19-8-4-9-20-35)36-21-10-5-11-22-36/h3-33H,1-2H3
InChIKeySRHCFCTYQPIUQE-UHFFFAOYSA-N
XLogP15.11
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.96
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzothiazol-4-amine
CID 167129708
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
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
CID 170412879
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156
N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine
CID 166918056
3-N-dibenzofuran-2-yl-3-N-[4-(9,9-dimethylindeno[1,2-f][1,3]benzoxazol-2-yl)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 172504242
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170413017
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-dibenzofuran-2-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzothiazol-10-amine
CID 177113018

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1cc1nc(-c3ccccc3)sc1c2N(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 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?
The InChIKey is SRHCFCTYQPIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3OS/c1-52(2)43-27-14-12-26-41(43)48-44(52)33-45-50(57-51(53-45)34-17-6-3-7-18-34)49(48)55(39-29-30-47-42(32-39)40-25-13-15-28-46(40)56-47)38-24-16-23-37(31-38)54(35-19-8-4-9-20-35)36-21-10-5-11-22-36/h3-33H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 751.96 g/mol, XLogP of 15.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172504291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).