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

C70H50N2OS2 — CID 171573989

IUPAC5-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]-2-[4-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]naphthalen-1-yl]phenol
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6sc7ccccc7c6c5)c5ccccc45)c(O)c3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C70H50N2OS2/c1-69(2)59-21-11-7-16-49(59)51-30-25-44(39-61(51)69)71(42-28-35-67-57(37-42)55-19-9-13-23-65(55)74-67)46-27-32-54(64(73)41-46)48-33-34-63(53-18-6-5-15-47(48)53)72(43-29-36-68-58(38-43)56-20-10-14-24-66(56)75-68)45-26-31-52-50-17-8-12-22-60(50)70(3,4)62(52)40-45/h5-41,73H,1-4H3
InChIKeySNVGEAJCBJSEMG-UHFFFAOYSA-N
MW999.32 g/mol
LogP20.50
Rot. Bonds7

About 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

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 (PubChem CID 171573989) has the molecular formula C70H50N2OS2 and a molecular weight of 999.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]-2-[4-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]naphthalen-1-yl]phenol
PubChem CID171573989
Molecular FormulaC70H50N2OS2
Molecular Weight999.32 g/mol
Exact Mass998.34
IUPAC Name5-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]-2-[4-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]naphthalen-1-yl]phenol
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6sc7ccccc7c6c5)c5ccccc45)c(O)c3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C70H50N2OS2/c1-69(2)59-21-11-7-16-49(59)51-30-25-44(39-61(51)69)71(42-28-35-67-57(37-42)55-19-9-13-23-65(55)74-67)46-27-32-54(64(73)41-46)48-33-34-63(53-18-6-5-15-47(48)53)72(43-29-36-68-58(38-43)56-20-10-14-24-66(56)75-68)45-26-31-52-50-17-8-12-22-60(50)70(3,4)62(52)40-45/h5-41,73H,1-4H3
InChIKeySNVGEAJCBJSEMG-UHFFFAOYSA-N
XLogP20.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.32
LogP ≤ 520.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
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-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
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
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
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043531

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6sc7ccccc7c6c5)c5ccccc45)c(O)c3)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of 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?
The InChIKey is SNVGEAJCBJSEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2OS2/c1-69(2)59-21-11-7-16-49(59)51-30-25-44(39-61(51)69)71(42-28-35-67-57(37-42)55-19-9-13-23-65(55)74-67)46-27-32-54(64(73)41-46)48-33-34-63(53-18-6-5-15-47(48)53)72(43-29-36-68-58(38-43)56-20-10-14-24-66(56)75-68)45-26-31-52-50-17-8-12-22-60(50)70(3,4)62(52)40-45/h5-41,73H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 999.32 g/mol, XLogP of 20.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171573989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).