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

C52H37NOS — CID 170406229

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(8),4,6,11,13,15,18,20,22-undecaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(c5ccccc5c5c3oc3ccccc35)C4(C)C)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C52H37NOS/c1-51(2)41-18-10-7-13-33(41)34-24-21-32(29-43(34)51)53(31-23-26-46-39(27-31)35-14-9-12-20-45(35)55-46)30-22-25-42-40(28-30)48-49(52(42,3)4)37-16-6-5-15-36(37)47-38-17-8-11-19-44(38)54-50(47)48/h5-29H,1-4H3
InChIKeyRIRUHSQBQIKQJO-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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-amine (PubChem CID 170406229) 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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-amine
PubChem CID170406229
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(8),4,6,11,13,15,18,20,22-undecaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(c5ccccc5c5c3oc3ccccc35)C4(C)C)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C52H37NOS/c1-51(2)41-18-10-7-13-33(41)34-24-21-32(29-43(34)51)53(31-23-26-46-39(27-31)35-14-9-12-20-45(35)55-46)30-22-25-42-40(28-30)48-49(52(42,3)4)37-16-6-5-15-36(37)47-38-17-8-11-19-44(38)54-50(47)48/h5-29H,1-4H3
InChIKeyRIRUHSQBQIKQJO-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(8),4,6,11,13,15,18,20,22-undecaen-5-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),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406125
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
9,9-dimethyl-N,N-bis(4-phenylphenyl)-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 170406222
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
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-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
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-dibenzofuran-2-yl-N-dibenzofuran-3-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine;N-dibenzofuran-3-yl-N-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[3-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 157213900
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
5-N,5-N,9-N,9-N-tetrakis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523096
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109
21,21-dimethyl-N-phenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)spiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene-18,9'-fluorene]-24-amine
CID 155458153

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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-amine (CID 170406229) 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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(c5ccccc5c5c3oc3ccccc35)C4(C)C)c3ccc4sc5ccccc5c4c3)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(8),4,6,11,13,15,18,20,22-undecaen-5-amine?
The InChIKey is RIRUHSQBQIKQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NOS/c1-51(2)41-18-10-7-13-33(41)34-24-21-32(29-43(34)51)53(31-23-26-46-39(27-31)35-14-9-12-20-45(35)55-46)30-22-25-42-40(28-30)48-49(52(42,3)4)37-16-6-5-15-36(37)47-38-17-8-11-19-44(38)54-50(47)48/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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-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(8),4,6,11,13,15,18,20,22-undecaen-5-amine is sourced from PubChem (CID 170406229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).