15-phenyl-25-thia-15,17,32-triazanonacyclo[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

C34H19N3S — CID 174285476

IUPAC15-phenyl-25-thia-15,17,32-triazanonacyclo[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
SMILESc1ccc(-n2c3ccccc3c3c4cccc5[nH]c6ccc7c8sc9ccccc9c8n(c7c6c54)c32)cc1
InChIInChI=1S/C34H19N3S/c1-2-9-19(10-3-1)36-26-15-6-4-11-20(26)28-22-13-8-14-24-29(22)30-25(35-24)18-17-23-31(30)37(34(28)36)32-21-12-5-7-16-27(21)38-33(23)32/h1-18,35H
InChIKeyDXWOSADIENSWEX-UHFFFAOYSA-N
MW501.61 g/mol
LogP9.63
Rot. Bonds1

About 15-phenyl-25-thia-15,17,32-triazanonacyclo[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

15-phenyl-25-thia-15,17,32-triazanonacyclo[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 174285476) has the molecular formula C34H19N3S and a molecular weight of 501.61 g/mol. Its IUPAC name is 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 Name15-phenyl-25-thia-15,17,32-triazanonacyclo[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 CID174285476
Molecular FormulaC34H19N3S
Molecular Weight501.61 g/mol
Exact Mass501.13
IUPAC Name15-phenyl-25-thia-15,17,32-triazanonacyclo[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
SMILESc1ccc(-n2c3ccccc3c3c4cccc5[nH]c6ccc7c8sc9ccccc9c8n(c7c6c54)c32)cc1
InChIInChI=1S/C34H19N3S/c1-2-9-19(10-3-1)36-26-15-6-4-11-20(26)28-22-13-8-14-24-29(22)30-25(35-24)18-17-23-31(30)37(34(28)36)32-21-12-5-7-16-27(21)38-33(23)32/h1-18,35H
InChIKeyDXWOSADIENSWEX-UHFFFAOYSA-N
XLogP9.63
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-phenyl-25-thia-15,17,32-triazanonacyclo[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

32-iodo-19-phenyl-9-thia-17,19,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.020,25.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),20,22,24,27(31),28-tetradecaene
CID 174282967
21-phenyl-9-thia-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 126517745
9-phenyl-19-thia-9,17,28-triazaoctacyclo[15.9.1.13,26.02,7.08,16.010,15.018,22.023,27]octacosa-1(26),2(7),3,5,8(16),10,12,14,18(22),20,23(27),24-dodecaene
CID 174282940
9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118509099
CID 152782904
CID 152782904
CID 159669751
CID 159669751
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
12-phenyl-5-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 134530248
10-phenyl-28-thia-1,10-diazanonacyclo[17.13.1.02,14.03,11.04,9.015,33.020,32.021,29.022,27]tritriaconta-2(14),3(11),4,6,8,12,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene
CID 171084621
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 174285476) is 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 c1ccc(-n2c3ccccc3c3c4cccc5[nH]c6ccc7c8sc9ccccc9c8n(c7c6c54)c32)cc1.
What is the InChIKey of 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 DXWOSADIENSWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3S/c1-2-9-19(10-3-1)36-26-15-6-4-11-20(26)28-22-13-8-14-24-29(22)30-25(35-24)18-17-23-31(30)37(34(28)36)32-21-12-5-7-16-27(21)38-33(23)32/h1-18,35H.
What are the key properties of 15-phenyl-25-thia-15,17,32-triazanonacyclo[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?
15-phenyl-25-thia-15,17,32-triazanonacyclo[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 501.61 g/mol, XLogP of 9.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-25-thia-15,17,32-triazanonacyclo[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 174285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).