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

C55H35NS — CID 167293356

IUPACN-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C55H35NS/c1-3-17-36(18-4-1)39-25-15-30-50(53(39)45-26-16-32-52-54(45)44-24-10-14-31-51(44)57-52)56(37-19-5-2-6-20-37)38-33-34-43-42-23-9-13-29-48(42)55(49(43)35-38)46-27-11-7-21-40(46)41-22-8-12-28-47(41)55/h1-35H
InChIKeyRIRZXIHBSDOQBQ-UHFFFAOYSA-N
MW741.96 g/mol
LogP15.20
Rot. Bonds5

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

N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167293356) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID167293356
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC NameN-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C55H35NS/c1-3-17-36(18-4-1)39-25-15-30-50(53(39)45-26-16-32-52-54(45)44-24-10-14-31-51(44)57-52)56(37-19-5-2-6-20-37)38-33-34-43-42-23-9-13-29-48(42)55(49(43)35-38)46-27-11-7-21-40(46)41-22-8-12-28-47(41)55/h1-35H
InChIKeyRIRZXIHBSDOQBQ-UHFFFAOYSA-N
XLogP15.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.96
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790542
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583107
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789441
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309086
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 137448805
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-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 167293356) is N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RIRZXIHBSDOQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-3-17-36(18-4-1)39-25-15-30-50(53(39)45-26-16-32-52-54(45)44-24-10-14-31-51(44)57-52)56(37-19-5-2-6-20-37)38-33-34-43-42-23-9-13-29-48(42)55(49(43)35-38)46-27-11-7-21-40(46)41-22-8-12-28-47(41)55/h1-35H.
What are the key properties of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 741.96 g/mol, XLogP of 15.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167293356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).