N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine

C67H41NS — CID 130308649

IUPACN-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1cc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C67H41NS/c1-2-19-50-48(17-1)49-18-3-4-20-51(49)58-41-47(36-37-52(50)58)68(46-34-31-42(32-35-46)43-15-13-16-44(39-43)45-33-38-65-59(40-45)56-24-8-12-30-64(56)69-65)63-29-14-25-57-55-23-7-11-28-62(55)67(66(57)63)60-26-9-5-21-53(60)54-22-6-10-27-61(54)67/h1-41H
InChIKeyUBTMTRBGSVMEFD-UHFFFAOYSA-N
MW892.14 g/mol
LogP18.66
Rot. Bonds5

About N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 130308649) has the molecular formula C67H41NS and a molecular weight of 892.14 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
PubChem CID130308649
Molecular FormulaC67H41NS
Molecular Weight892.14 g/mol
Exact Mass891.30
IUPAC NameN-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1cc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C67H41NS/c1-2-19-50-48(17-1)49-18-3-4-20-51(49)58-41-47(36-37-52(50)58)68(46-34-31-42(32-35-46)43-15-13-16-44(39-43)45-33-38-65-59(40-45)56-24-8-12-30-64(56)69-65)63-29-14-25-57-55-23-7-11-28-62(55)67(66(57)63)60-26-9-5-21-53(60)54-22-6-10-27-61(54)67/h1-41H
InChIKeyUBTMTRBGSVMEFD-UHFFFAOYSA-N
XLogP18.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.14
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308639
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 159587313
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine
CID 167177372
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
3'-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729582
N-(2-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308634
N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308714
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358660
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (CID 130308649) is N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is c1cc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is UBTMTRBGSVMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NS/c1-2-19-50-48(17-1)49-18-3-4-20-51(49)58-41-47(36-37-52(50)58)68(46-34-31-42(32-35-46)43-15-13-16-44(39-43)45-33-38-65-59(40-45)56-24-8-12-30-64(56)69-65)63-29-14-25-57-55-23-7-11-28-62(55)67(66(57)63)60-26-9-5-21-53(60)54-22-6-10-27-61(54)67/h1-41H.
What are the key properties of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 892.14 g/mol, XLogP of 18.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 130308649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).