24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene

C44H36N2S — CID 177086967

IUPAC24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1ccc2c4ccccc4n(-c4ccccc4)c2c1n3-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C44H36N2S/c1-43(2)22-23-44(3,4)36-26-38-33(25-35(36)43)32-20-19-31-29-14-8-10-16-37(29)45(27-12-6-5-7-13-27)41(31)42(32)46(38)28-18-21-40-34(24-28)30-15-9-11-17-39(30)47-40/h5-21,24-26H,22-23H2,1-4H3
InChIKeyNTGBRGFLIMFRPX-UHFFFAOYSA-N
MW624.85 g/mol
LogP12.60
Rot. Bonds2

About 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene

24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene (PubChem CID 177086967) has the molecular formula C44H36N2S and a molecular weight of 624.85 g/mol. Its IUPAC name is 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene.

Molecular Properties

Compound Name24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
PubChem CID177086967
Molecular FormulaC44H36N2S
Molecular Weight624.85 g/mol
Exact Mass624.26
IUPAC Name24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1ccc2c4ccccc4n(-c4ccccc4)c2c1n3-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C44H36N2S/c1-43(2)22-23-44(3,4)36-26-38-33(25-35(36)43)32-20-19-31-29-14-8-10-16-37(29)45(27-12-6-5-7-13-27)41(31)42(32)46(38)28-18-21-40-34(24-28)30-15-9-11-17-39(30)47-40/h5-21,24-26H,22-23H2,1-4H3
InChIKeyNTGBRGFLIMFRPX-UHFFFAOYSA-N
XLogP12.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.85
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene with MolForge

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Related Compounds

24-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086947
28-(4-dibenzothiophen-3-ylphenyl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086594
14-dibenzothiophen-2-yl-22,22,25,25-tetramethyl-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177087168
3-(4-carbazol-9-ylphenyl)-18,18,21,21-tetramethyl-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17(22),23-nonaene
CID 177087240
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
CID 158708574
3,8-di(carbazol-9-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 67952823
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
[3-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285407
21,21,24,24-tetramethyl-3-phenanthren-3-yl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086876
CID 157397756
CID 157397756

Frequently Asked Questions

What is the IUPAC name of 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene?
The IUPAC name of 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene (CID 177086967) is 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene.
What is the SMILES notation for 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene?
The canonical SMILES for 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1ccc2c4ccccc4n(-c4ccccc4)c2c1n3-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene?
The InChIKey is NTGBRGFLIMFRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2S/c1-43(2)22-23-44(3,4)36-26-38-33(25-35(36)43)32-20-19-31-29-14-8-10-16-37(29)45(27-12-6-5-7-13-27)41(31)42(32)46(38)28-18-21-40-34(24-28)30-15-9-11-17-39(30)47-40/h5-21,24-26H,22-23H2,1-4H3.
What are the key properties of 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene?
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene has a molecular weight of 624.85 g/mol, XLogP of 12.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene is sourced from PubChem (CID 177086967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).