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

C67H43NS — CID 168790604

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C67H43NS/c1-3-21-44(22-4-1)47-25-7-8-31-55(47)65-48(45-23-5-2-6-24-45)32-20-39-63(65)68(62-38-17-12-29-53(62)56-33-19-34-57-54-30-13-18-40-64(54)69-66(56)57)46-41-42-52-51-28-11-16-37-60(51)67(61(52)43-46)58-35-14-9-26-49(58)50-27-10-15-36-59(50)67/h1-43H
InChIKeyRFMVMIHUMAFLFW-UHFFFAOYSA-N
MW894.16 g/mol
LogP18.54
Rot. Bonds7

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

N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168790604) has the molecular formula C67H43NS and a molecular weight of 894.16 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID168790604
Molecular FormulaC67H43NS
Molecular Weight894.16 g/mol
Exact Mass893.31
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C67H43NS/c1-3-21-44(22-4-1)47-25-7-8-31-55(47)65-48(45-23-5-2-6-24-45)32-20-39-63(65)68(62-38-17-12-29-53(62)56-33-19-34-57-54-30-13-18-40-64(54)69-66(56)57)46-41-42-52-51-28-11-16-37-60(51)67(61(52)43-46)58-35-14-9-26-49(58)50-27-10-15-36-59(50)67/h1-43H
InChIKeyRFMVMIHUMAFLFW-UHFFFAOYSA-N
XLogP18.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.16
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789441
N-[4-phenyl-3-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 168788810
2',7'-ditert-butyl-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170113057
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790542
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293356
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118298525
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168790604) is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RFMVMIHUMAFLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS/c1-3-21-44(22-4-1)47-25-7-8-31-55(47)65-48(45-23-5-2-6-24-45)32-20-39-63(65)68(62-38-17-12-29-53(62)56-33-19-34-57-54-30-13-18-40-64(54)69-66(56)57)46-41-42-52-51-28-11-16-37-60(51)67(61(52)43-46)58-35-14-9-26-49(58)50-27-10-15-36-59(50)67/h1-43H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 894.16 g/mol, XLogP of 18.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168790604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).