3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine

C60H44N2OS — CID 155312706

IUPAC3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(N(c4cccc5c4C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C60H44N2OS/c1-59(2)47-25-10-6-21-44(47)56-48(59)26-15-27-49(56)61(39-33-34-42-41-20-8-12-32-54(41)64-55(42)36-39)37-17-13-18-38(35-37)62(50-28-16-31-53-57(50)45-22-7-11-30-52(45)63-53)51-29-14-23-43-40-19-5-9-24-46(40)60(3,4)58(43)51/h5-36H,1-4H3
InChIKeyPFSLVDAVOZDPDN-UHFFFAOYSA-N
MW841.09 g/mol
LogP17.51
Rot. Bonds6

About 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine

3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine (PubChem CID 155312706) has the molecular formula C60H44N2OS and a molecular weight of 841.09 g/mol. Its IUPAC name is 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine
PubChem CID155312706
Molecular FormulaC60H44N2OS
Molecular Weight841.09 g/mol
Exact Mass840.32
IUPAC Name3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(N(c4cccc5c4C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C60H44N2OS/c1-59(2)47-25-10-6-21-44(47)56-48(59)26-15-27-49(56)61(39-33-34-42-41-20-8-12-32-54(41)64-55(42)36-39)37-17-13-18-38(35-37)62(50-28-16-31-53-57(50)45-22-7-11-30-52(45)63-53)51-29-14-23-43-40-19-5-9-24-46(40)60(3,4)58(43)51/h5-36H,1-4H3
InChIKeyPFSLVDAVOZDPDN-UHFFFAOYSA-N
XLogP17.51
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.09
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine with MolForge

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 147414987
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-amine
CID 170353038
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029
N-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171727012
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine (CID 155312706) is 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2c(N(c3cccc(N(c4cccc5c4C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)sc3ccccc34)cccc21.
What is the InChIKey of 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine?
The InChIKey is PFSLVDAVOZDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2OS/c1-59(2)47-25-10-6-21-44(47)56-48(59)26-15-27-49(56)61(39-33-34-42-41-20-8-12-32-54(41)64-55(42)36-39)37-17-13-18-38(35-37)62(50-28-16-31-53-57(50)45-22-7-11-30-52(45)63-53)51-29-14-23-43-40-19-5-9-24-46(40)60(3,4)58(43)51/h5-36H,1-4H3.
What are the key properties of 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine?
3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine has a molecular weight of 841.09 g/mol, XLogP of 17.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-1-yl-1-N-dibenzothiophen-3-yl-3-N-(9,9-dimethylfluoren-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 155312706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).