N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine

C39H26ClNOS — CID 139525661

IUPACN-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3cccc(Cl)c34)ccc21
InChIInChI=1S/C39H26ClNOS/c1-39(2)31-10-5-3-8-26(31)30-20-23(16-19-32(30)39)41(24-14-17-28-27-9-4-6-12-34(27)42-35(28)21-24)25-15-18-29-37(22-25)43-36-13-7-11-33(40)38(29)36/h3-22H,1-2H3
InChIKeyAJDVXIOBGOIFKM-UHFFFAOYSA-N
MW592.16 g/mol
LogP12.38
Rot. Bonds3

About N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine

N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine (PubChem CID 139525661) has the molecular formula C39H26ClNOS and a molecular weight of 592.16 g/mol. Its IUPAC name is N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
PubChem CID139525661
Molecular FormulaC39H26ClNOS
Molecular Weight592.16 g/mol
Exact Mass591.14
IUPAC NameN-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3cccc(Cl)c34)ccc21
InChIInChI=1S/C39H26ClNOS/c1-39(2)31-10-5-3-8-26(31)30-20-23(16-19-32(30)39)41(24-14-17-28-27-9-4-6-12-34(27)42-35(28)21-24)25-15-18-29-37(22-25)43-36-13-7-11-33(40)38(29)36/h3-22H,1-2H3
InChIKeyAJDVXIOBGOIFKM-UHFFFAOYSA-N
XLogP12.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.16
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109
N-(9,9-dimethylfluoren-2-yl)-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]-10'-yldibenzofuran-3-amine
CID 130463526
N-(9,9-dimethylfluoren-2-yl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)dibenzofuran-3-amine
CID 130464815
N-(9,9-dimethylfluoren-2-yl)-N-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'-yldibenzofuran-3-amine
CID 130463385
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177280961
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-(9,9-dimethylfluoren-2-yl)-N-(35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-yl)dibenzofuran-2-amine
CID 130464947
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-4-amine
CID 170044692
N-dibenzothiophen-2-yl-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-phenyl-N-(20,20,21,21-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-yl)dibenzofuran-3-amine
CID 163871161
N,N-bis(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043016
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281539
N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
CID 157073410

Frequently Asked Questions

What is the IUPAC name of N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine (CID 139525661) is N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3cccc(Cl)c34)ccc21.
What is the InChIKey of N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine?
The InChIKey is AJDVXIOBGOIFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26ClNOS/c1-39(2)31-10-5-3-8-26(31)30-20-23(16-19-32(30)39)41(24-14-17-28-27-9-4-6-12-34(27)42-35(28)21-24)25-15-18-29-37(22-25)43-36-13-7-11-33(40)38(29)36/h3-22H,1-2H3.
What are the key properties of N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine?
N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine has a molecular weight of 592.16 g/mol, XLogP of 12.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-chlorodibenzothiophen-3-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 139525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).