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

C49H31NS — CID 118298589

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31NS/c1-2-14-33(15-3-1)50(46-24-12-7-16-35(46)32-26-29-48-41(30-32)40-20-8-13-25-47(40)51-48)34-27-28-39-38-19-6-11-23-44(38)49(45(39)31-34)42-21-9-4-17-36(42)37-18-5-10-22-43(37)49/h1-31H
InChIKeyHDYYFYCKTWYTFA-UHFFFAOYSA-N
MW665.86 g/mol
LogP13.53
Rot. Bonds4

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

N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118298589) has the molecular formula C49H31NS and a molecular weight of 665.86 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID118298589
Molecular FormulaC49H31NS
Molecular Weight665.86 g/mol
Exact Mass665.22
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31NS/c1-2-14-33(15-3-1)50(46-24-12-7-16-35(46)32-26-29-48-41(30-32)40-20-8-13-25-47(40)51-48)34-27-28-39-38-19-6-11-23-44(38)49(45(39)31-34)42-21-9-4-17-36(42)37-18-5-10-22-43(37)49/h1-31H
InChIKeyHDYYFYCKTWYTFA-UHFFFAOYSA-N
XLogP13.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.86
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463372
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
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-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675379
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 118298589) is N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccccc2-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is HDYYFYCKTWYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NS/c1-2-14-33(15-3-1)50(46-24-12-7-16-35(46)32-26-29-48-41(30-32)40-20-8-13-25-47(40)51-48)34-27-28-39-38-19-6-11-23-44(38)49(45(39)31-34)42-21-9-4-17-36(42)37-18-5-10-22-43(37)49/h1-31H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 665.86 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118298589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).