N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine

C52H37NOS — CID 170406125

IUPACN-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3c5c(c6ccccc6c34)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C52H37NOS/c1-51(2)40-20-10-7-14-32(40)33-26-24-31(29-42(33)51)53(30-25-27-45-39(28-30)34-15-9-12-23-44(34)55-45)43-22-13-19-38-46-35-16-5-6-17-36(35)48-47(50(46)54-49(38)43)37-18-8-11-21-41(37)52(48,3)4/h5-29H,1-4H3
InChIKeyNUJQBXCPPJJPCM-UHFFFAOYSA-N
MW723.94 g/mol
LogP15.19
Rot. Bonds3

About N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine

N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine (PubChem CID 170406125) has the molecular formula C52H37NOS and a molecular weight of 723.94 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
PubChem CID170406125
Molecular FormulaC52H37NOS
Molecular Weight723.94 g/mol
Exact Mass723.26
IUPAC NameN-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3c5c(c6ccccc6c34)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C52H37NOS/c1-51(2)40-20-10-7-14-32(40)33-26-24-31(29-42(33)51)53(30-25-27-45-39(28-30)34-15-9-12-23-44(34)55-45)43-22-13-19-38-46-35-16-5-6-17-36(35)48-47(50(46)54-49(38)43)37-18-8-11-21-41(37)52(48,3)4/h5-29H,1-4H3
InChIKeyNUJQBXCPPJJPCM-UHFFFAOYSA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.94
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-5-amine
CID 170406229
6,8-ditert-butyl-N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751229
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121543
5-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]-2-[4-[dibenzothiophen-2-yl-(9,9-dimethylfluoren-2-yl)amino]naphthalen-1-yl]phenol
CID 171573989
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine
CID 121329664
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295434
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[4,3-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-4-amine
CID 130463180
1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 122634190
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine (CID 170406125) is N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3c5c(c6ccccc6c34)C(C)(C)c3ccccc3-5)cc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine?
The InChIKey is NUJQBXCPPJJPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NOS/c1-51(2)40-20-10-7-14-32(40)33-26-24-31(29-42(33)51)53(30-25-27-45-39(28-30)34-15-9-12-23-44(34)55-45)43-22-13-19-38-46-35-16-5-6-17-36(35)48-47(50(46)54-49(38)43)37-18-8-11-21-41(37)52(48,3)4/h5-29H,1-4H3.
What are the key properties of N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine?
N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine has a molecular weight of 723.94 g/mol, XLogP of 15.19, 3 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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine is sourced from PubChem (CID 170406125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).