3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine

C70H50N2S — CID 155096827

IUPAC3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c3)c3ccc4sc5ccccc5c4c3)ccc21
InChIInChI=1S/C70H50N2S/c1-69(2)63-31-13-9-29-59(63)61-45-55(39-41-64(61)69)72(56-40-42-68-62(46-56)60-30-12-16-34-67(60)73-68)54-26-18-25-53(44-54)71(51-37-35-48(36-38-51)47-19-5-3-6-20-47)52-24-17-23-50(43-52)70(49-21-7-4-8-22-49)65-32-14-10-27-57(65)58-28-11-15-33-66(58)70/h3-46H,1-2H3
InChIKeyNXKDSILSIKKDRK-UHFFFAOYSA-N
MW951.25 g/mol
LogP19.33
Rot. Bonds9

About 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 155096827) has the molecular formula C70H50N2S and a molecular weight of 951.25 g/mol. Its IUPAC name is 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID155096827
Molecular FormulaC70H50N2S
Molecular Weight951.25 g/mol
Exact Mass950.37
IUPAC Name3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c3)c3ccc4sc5ccccc5c4c3)ccc21
InChIInChI=1S/C70H50N2S/c1-69(2)63-31-13-9-29-59(63)61-45-55(39-41-64(61)69)72(56-40-42-68-62(46-56)60-30-12-16-34-67(60)73-68)54-26-18-25-53(44-54)71(51-37-35-48(36-38-51)47-19-5-3-6-20-47)52-24-17-23-50(43-52)70(49-21-7-4-8-22-49)65-32-14-10-27-57(65)58-28-11-15-33-66(58)70/h3-46H,1-2H3
InChIKeyNXKDSILSIKKDRK-UHFFFAOYSA-N
XLogP19.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.25
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
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-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582431
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 155096827) is 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2cc(N(c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c3)c3ccc4sc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is NXKDSILSIKKDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2S/c1-69(2)63-31-13-9-29-59(63)61-45-55(39-41-64(61)69)72(56-40-42-68-62(46-56)60-30-12-16-34-67(60)73-68)54-26-18-25-53(44-54)71(51-37-35-48(36-38-51)47-19-5-3-6-20-47)52-24-17-23-50(43-52)70(49-21-7-4-8-22-49)65-32-14-10-27-57(65)58-28-11-15-33-66(58)70/h3-46H,1-2H3.
What are the key properties of 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 951.25 g/mol, XLogP of 19.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 155096827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).