25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene

C32H22N2S — CID 174282731

IUPAC25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene
SMILESCn1c2cccc3c2c2c1ccc1c4c(n(c5sc6ccccc6c35)c12)-c1ccccc1C4(C)C
InChIInChI=1S/C32H22N2S/c1-32(2)21-12-6-4-9-17(21)30-28(32)20-15-16-23-27-26-19(11-8-13-22(26)33(23)3)25-18-10-5-7-14-24(18)35-31(25)34(30)29(20)27/h4-16H,1-3H3
InChIKeyNCXRRNWKOFNJAA-UHFFFAOYSA-N
MW466.61 g/mol
LogP8.85
Rot. Bonds

About 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene

25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene (PubChem CID 174282731) has the molecular formula C32H22N2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene.

Molecular Properties

Compound Name25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene
PubChem CID174282731
Molecular FormulaC32H22N2S
Molecular Weight466.61 g/mol
Exact Mass466.15
IUPAC Name25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene
SMILESCn1c2cccc3c2c2c1ccc1c4c(n(c5sc6ccccc6c35)c12)-c1ccccc1C4(C)C
InChIInChI=1S/C32H22N2S/c1-32(2)21-12-6-4-9-17(21)30-28(32)20-15-16-23-27-26-19(11-8-13-22(26)33(23)3)25-18-10-5-7-14-24(18)35-31(25)34(30)29(20)27/h4-16H,1-3H3
InChIKeyNCXRRNWKOFNJAA-UHFFFAOYSA-N
XLogP8.85
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene with MolForge

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Related Compounds

25,25,32-trimethyl-9-phenyl-9,17,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene
CID 174282576
28-iodo-9,9-dimethyl-24-thia-1,28-diazaoctacyclo[13.11.1.114,17.02,10.03,8.011,27.016,21.022,26]octacosa-2(10),3,5,7,11(27),12,14,16(21),17,19,22,25-dodecaene
CID 174282830
15,26,26-trimethyl-4-phenyl-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 145449729
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(20-thia-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2(7),3,5,8(22),9,11,13(21),14,16,18-decaen-5-yl)phenyl]fluoren-1-amine
CID 163298384
3,3,29-trimethyl-1,29-diazaoctacyclo[13.12.1.120,23.02,10.04,9.011,28.016,21.022,27]nonacosa-2(10),4,6,8,11,13,15(28),16(21),17,19,22,24,26-tridecaene
CID 163712182
11,11,33-trimethyl-21,33-diazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2,4(12),5,7,9,13,15,17,19,22,24,26,28(32),29-pentadecaene
CID 157173756
37,37-dimethyl-4,26-dithia-2,29-diaza-1-boratridecacyclo[26.15.1.12,12.129,39.03,11.05,10.017,44.019,27.020,25.030,38.031,36.016,46.043,45]hexatetraconta-3(11),5,7,9,12(46),13,15,17(44),18,20,22,24,27,30(38),31,33,35,39,41,43(45)-icosaene
CID 174015310
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087
14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118503122
21-methyl-9-thia-21-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 129296816
16-(9,9-dimethylfluoren-1-yl)-27-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13(18),14,16,19(30),20(28),21,23,25-tetradecaene
CID 129092569

Frequently Asked Questions

What is the IUPAC name of 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene?
The IUPAC name of 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene (CID 174282731) is 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene.
What is the SMILES notation for 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene?
The canonical SMILES for 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene is Cn1c2cccc3c2c2c1ccc1c4c(n(c5sc6ccccc6c35)c12)-c1ccccc1C4(C)C.
What is the InChIKey of 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene?
The InChIKey is NCXRRNWKOFNJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2S/c1-32(2)21-12-6-4-9-17(21)30-28(32)20-15-16-23-27-26-19(11-8-13-22(26)33(23)3)25-18-10-5-7-14-24(18)35-31(25)34(30)29(20)27/h4-16H,1-3H3.
What are the key properties of 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene?
25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene has a molecular weight of 466.61 g/mol, XLogP of 8.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25,32-trimethyl-15-thia-17,32-diazanonacyclo[15.13.1.13,30.02,7.08,16.09,14.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),9,11,13,18(26),19,21,23,27(31),28-tetradecaene is sourced from PubChem (CID 174282731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).