N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine

C60H39NOS — CID 169305195

IUPACN-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(C(c2ccccc2)c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4sc5ccccc5c34)ccc3ccccc23)cc1
InChIInChI=1S/C60H39NOS/c1-3-20-40(21-4-1)56(41-22-5-2-6-23-41)59-42-24-8-7-19-39(42)37-38-51(59)61(50-32-18-36-55-58(50)44-26-10-16-35-54(44)63-55)49-31-17-30-48-57(49)43-25-9-11-27-45(43)60(48)46-28-12-14-33-52(46)62-53-34-15-13-29-47(53)60/h1-38,56H
InChIKeyIWQUXZHTMRTRKU-UHFFFAOYSA-N
MW822.05 g/mol
LogP16.33
Rot. Bonds6

About N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine

N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 169305195) has the molecular formula C60H39NOS and a molecular weight of 822.05 g/mol. Its IUPAC name is N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID169305195
Molecular FormulaC60H39NOS
Molecular Weight822.05 g/mol
Exact Mass821.28
IUPAC NameN-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(C(c2ccccc2)c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4sc5ccccc5c34)ccc3ccccc23)cc1
InChIInChI=1S/C60H39NOS/c1-3-20-40(21-4-1)56(41-22-5-2-6-23-41)59-42-24-8-7-19-39(42)37-38-51(59)61(50-32-18-36-55-58(50)44-26-10-16-35-54(44)63-55)49-31-17-30-48-57(49)43-25-9-11-27-45(43)60(48)46-28-12-14-33-52(46)62-53-34-15-13-29-47(53)60/h1-38,56H
InChIKeyIWQUXZHTMRTRKU-UHFFFAOYSA-N
XLogP16.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
CID 166960048
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860
N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 176583131
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
4-N'-dibenzothiophen-1-yl-4-N',5-N,5-N-triphenylspiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775519
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308861

Frequently Asked Questions

What is the IUPAC name of N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine (CID 169305195) is N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(C(c2ccccc2)c2c(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4sc5ccccc5c34)ccc3ccccc23)cc1.
What is the InChIKey of N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is IWQUXZHTMRTRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NOS/c1-3-20-40(21-4-1)56(41-22-5-2-6-23-41)59-42-24-8-7-19-39(42)37-38-51(59)61(50-32-18-36-55-58(50)44-26-10-16-35-54(44)63-55)49-31-17-30-48-57(49)43-25-9-11-27-45(43)60(48)46-28-12-14-33-52(46)62-53-34-15-13-29-47(53)60/h1-38,56H.
What are the key properties of N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine?
N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 822.05 g/mol, XLogP of 16.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzhydrylnaphthalen-2-yl)-N-dibenzothiophen-1-ylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 169305195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).