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

C61H37NS — CID 130308639

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C61H37NS/c1-2-19-44-42(17-1)43-18-3-4-20-45(43)52-37-41(32-33-46(44)52)62(40-16-13-15-38(35-40)39-31-34-59-53(36-39)50-24-8-12-30-58(50)63-59)57-29-14-25-51-49-23-7-11-28-56(49)61(60(51)57)54-26-9-5-21-47(54)48-22-6-10-27-55(48)61/h1-37H
InChIKeySAQORRPJPDVWIV-UHFFFAOYSA-N
MW816.04 g/mol
LogP16.99
Rot. Bonds4

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

N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 130308639) has the molecular formula C61H37NS and a molecular weight of 816.04 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
PubChem CID130308639
Molecular FormulaC61H37NS
Molecular Weight816.04 g/mol
Exact Mass815.26
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C61H37NS/c1-2-19-44-42(17-1)43-18-3-4-20-45(43)52-37-41(32-33-46(44)52)62(40-16-13-15-38(35-40)39-31-34-59-53(36-39)50-24-8-12-30-58(50)63-59)57-29-14-25-51-49-23-7-11-28-56(49)61(60(51)57)54-26-9-5-21-47(54)48-22-6-10-27-55(48)61/h1-37H
InChIKeySAQORRPJPDVWIV-UHFFFAOYSA-N
XLogP16.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.04
LogP ≤ 516.99
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-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308649
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
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-(2-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308634
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(3-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308853
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
CID 168767052
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
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-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (CID 130308639) is N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is SAQORRPJPDVWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NS/c1-2-19-44-42(17-1)43-18-3-4-20-45(43)52-37-41(32-33-46(44)52)62(40-16-13-15-38(35-40)39-31-34-59-53(36-39)50-24-8-12-30-58(50)63-59)57-29-14-25-51-49-23-7-11-28-56(49)61(60(51)57)54-26-9-5-21-47(54)48-22-6-10-27-55(48)61/h1-37H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 816.04 g/mol, XLogP of 16.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 130308639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).