N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine

C49H33NOS — CID 170301437

IUPACN-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C49H33NOS/c1-49(2)40-19-10-8-16-34(40)35-25-23-32(28-41(35)49)50(42-20-12-22-46-48(42)37-18-9-11-21-45(37)52-46)31-24-26-43-39(27-31)47-36-17-7-6-15-33(36)38(29-44(47)51-43)30-13-4-3-5-14-30/h3-29H,1-2H3
InChIKeyWZKPBCVCUJWIAO-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.55
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170301437) has the molecular formula C49H33NOS and a molecular weight of 683.88 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170301437
Molecular FormulaC49H33NOS
Molecular Weight683.88 g/mol
Exact Mass683.23
IUPAC NameN-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C49H33NOS/c1-49(2)40-19-10-8-16-34(40)35-25-23-32(28-41(35)49)50(42-20-12-22-46-48(42)37-18-9-11-21-45(37)52-46)31-24-26-43-39(27-31)47-36-17-7-6-15-33(36)38(29-44(47)51-43)30-13-4-3-5-14-30/h3-29H,1-2H3
InChIKeyWZKPBCVCUJWIAO-UHFFFAOYSA-N
XLogP14.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301597
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281539
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
CID 176824535
6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176844498
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 164983589
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301659
N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine
CID 169030004

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 170301437) is N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is WZKPBCVCUJWIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NOS/c1-49(2)40-19-10-8-16-34(40)35-25-23-32(28-41(35)49)50(42-20-12-22-46-48(42)37-18-9-11-21-45(37)52-46)31-24-26-43-39(27-31)47-36-17-7-6-15-33(36)38(29-44(47)51-43)30-13-4-3-5-14-30/h3-29H,1-2H3.
What are the key properties of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 683.88 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170301437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).