N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine

C97H68N2S4 — CID 59246194

IUPACN-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)ccc3-4)cc21
InChIInChI=1S/C97H68N2S4/c1-95(2)81-47-57(23-25-59-29-39-69-71-41-31-65(55-85(71)96(3,4)83(69)49-59)98(61-33-43-91-77(51-61)73-15-7-11-19-87(73)100-91)62-34-44-92-78(52-62)74-16-8-12-20-88(74)101-92)27-37-67(81)68-38-28-58(48-82(68)95)24-26-60-30-40-70-72-42-32-66(56-86(72)97(5,6)84(70)50-60)99(63-35-45-93-79(53-63)75-17-9-13-21-89(75)102-93)64-36-46-94-80(54-64)76-18-10-14-22-90(76)103-94/h7-56H,1-6H3/b25-23+,26-24+
InChIKeyJSTUTQJMBYHKOQ-OGGGYYITSA-N
MW1389.89 g/mol
LogP29.36
Rot. Bonds10

About N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine

N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine (PubChem CID 59246194) has the molecular formula C97H68N2S4 and a molecular weight of 1389.89 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine
PubChem CID59246194
Molecular FormulaC97H68N2S4
Molecular Weight1389.89 g/mol
Exact Mass1388.43
IUPAC NameN-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)ccc3-4)cc21
InChIInChI=1S/C97H68N2S4/c1-95(2)81-47-57(23-25-59-29-39-69-71-41-31-65(55-85(71)96(3,4)83(69)49-59)98(61-33-43-91-77(51-61)73-15-7-11-19-87(73)100-91)62-34-44-92-78(52-62)74-16-8-12-20-88(74)101-92)27-37-67(81)68-38-28-58(48-82(68)95)24-26-60-30-40-70-72-42-32-66(56-86(72)97(5,6)84(70)50-60)99(63-35-45-93-79(53-63)75-17-9-13-21-89(75)102-93)64-36-46-94-80(54-64)76-18-10-14-22-90(76)103-94/h7-56H,1-6H3/b25-23+,26-24+
InChIKeyJSTUTQJMBYHKOQ-OGGGYYITSA-N
XLogP29.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001389.89
LogP ≤ 529.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 122634190
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
5-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]-2-[4-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]naphthalen-1-yl]phenol
CID 171573989
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
CID 146588933
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine (CID 59246194) is N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)ccc3-4)cc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine?
The InChIKey is JSTUTQJMBYHKOQ-OGGGYYITSA-N. The full InChI is InChI=1S/C97H68N2S4/c1-95(2)81-47-57(23-25-59-29-39-69-71-41-31-65(55-85(71)96(3,4)83(69)49-59)98(61-33-43-91-77(51-61)73-15-7-11-19-87(73)100-91)62-34-44-92-78(52-62)74-16-8-12-20-88(74)101-92)27-37-67(81)68-38-28-58(48-82(68)95)24-26-60-30-40-70-72-42-32-66(56-86(72)97(5,6)84(70)50-60)99(63-35-45-93-79(53-63)75-17-9-13-21-89(75)102-93)64-36-46-94-80(54-64)76-18-10-14-22-90(76)103-94/h7-56H,1-6H3/b25-23+,26-24+.
What are the key properties of N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine?
N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine has a molecular weight of 1389.89 g/mol, XLogP of 29.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine is sourced from PubChem (CID 59246194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).