2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine

C61H40N2S — CID 140915366

IUPAC2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C61H40N2S/c1-4-19-41(20-5-1)42-21-16-26-45(39-42)62(43-22-6-2-7-23-43)56-34-18-33-54-59(56)51-29-11-14-32-53(51)61(54)52-31-13-10-27-47(52)48-38-37-46(40-55(48)61)63(44-24-8-3-9-25-44)57-35-17-30-50-49-28-12-15-36-58(49)64-60(50)57/h1-40H
InChIKeyVRQLFERJZUDYQB-UHFFFAOYSA-N
MW833.07 g/mol
LogP17.00
Rot. Bonds7

About 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine

2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine (PubChem CID 140915366) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine.

Molecular Properties

Compound Name2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
PubChem CID140915366
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC Name2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C61H40N2S/c1-4-19-41(20-5-1)42-21-16-26-45(39-42)62(43-22-6-2-7-23-43)56-34-18-33-54-59(56)51-29-11-14-32-53(51)61(54)52-31-13-10-27-47(52)48-38-37-46(40-55(48)61)63(44-24-8-3-9-25-44)57-35-17-30-50-49-28-12-15-36-58(49)64-60(50)57/h1-40H
InChIKeyVRQLFERJZUDYQB-UHFFFAOYSA-N
XLogP17.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
N-[4-phenyl-3-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 168788810
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159294805
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431

Frequently Asked Questions

What is the IUPAC name of 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
The IUPAC name of 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine (CID 140915366) is 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine.
What is the SMILES notation for 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
The canonical SMILES for 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc43)c2)cc1.
What is the InChIKey of 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
The InChIKey is VRQLFERJZUDYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-4-19-41(20-5-1)42-21-16-26-45(39-42)62(43-22-6-2-7-23-43)56-34-18-33-54-59(56)51-29-11-14-32-53(51)61(54)52-31-13-10-27-47(52)48-38-37-46(40-55(48)61)63(44-24-8-3-9-25-44)57-35-17-30-50-49-28-12-15-36-58(49)64-60(50)57/h1-40H.
What are the key properties of 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine has a molecular weight of 833.07 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine is sourced from PubChem (CID 140915366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).