N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine

C49H32N2S — CID 134309219

IUPACN-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H32N2S/c1-3-15-33(16-4-1)50(35-28-30-48-40(31-35)39-20-8-14-26-47(39)52-48)36-27-29-38-37-19-7-9-21-41(37)49(44(38)32-36)42-22-10-12-24-45(42)51(34-17-5-2-6-18-34)46-25-13-11-23-43(46)49/h1-32H
InChIKeyUKPVSVRHYBTGMC-UHFFFAOYSA-N
MW680.88 g/mol
LogP13.67
Rot. Bonds4

About N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine

N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 134309219) has the molecular formula C49H32N2S and a molecular weight of 680.88 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID134309219
Molecular FormulaC49H32N2S
Molecular Weight680.88 g/mol
Exact Mass680.23
IUPAC NameN-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H32N2S/c1-3-15-33(16-4-1)50(35-28-30-48-40(31-35)39-20-8-14-26-47(39)52-48)36-27-29-38-37-19-7-9-21-41(37)49(44(38)32-36)42-22-10-12-24-45(42)51(34-17-5-2-6-18-34)46-25-13-11-23-43(46)49/h1-32H
InChIKeyUKPVSVRHYBTGMC-UHFFFAOYSA-N
XLogP13.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.88
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N,14-diphenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463457
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166688
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-dibenzothiophen-2-yl-1,5,13-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750862
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166696
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 134309219) is N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is UKPVSVRHYBTGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2S/c1-3-15-33(16-4-1)50(35-28-30-48-40(31-35)39-20-8-14-26-47(39)52-48)36-27-29-38-37-19-7-9-21-41(37)49(44(38)32-36)42-22-10-12-24-45(42)51(34-17-5-2-6-18-34)46-25-13-11-23-43(46)49/h1-32H.
What are the key properties of N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine?
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 680.88 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 134309219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).