15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

C32H33NS — CID 135242711

IUPAC15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
SMILESCCCCCCCCCCn1c2ccccc2c2ccc3c(ccc4c5ccccc5sc43)c21
InChIInChI=1S/C32H33NS/c1-2-3-4-5-6-7-8-13-22-33-29-16-11-9-14-23(29)25-18-21-28-26(31(25)33)19-20-27-24-15-10-12-17-30(24)34-32(27)28/h9-12,14-21H,2-8,13,22H2,1H3
InChIKeyOOZTWVRNVFFZDN-UHFFFAOYSA-N
MW463.69 g/mol
LogP10.46
Rot. Bonds9

About 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (PubChem CID 135242711) has the molecular formula C32H33NS and a molecular weight of 463.69 g/mol. Its IUPAC name is 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
PubChem CID135242711
Molecular FormulaC32H33NS
Molecular Weight463.69 g/mol
Exact Mass463.23
IUPAC Name15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
SMILESCCCCCCCCCCn1c2ccccc2c2ccc3c(ccc4c5ccccc5sc43)c21
InChIInChI=1S/C32H33NS/c1-2-3-4-5-6-7-8-13-22-33-29-16-11-9-14-23(29)25-18-21-28-26(31(25)33)19-20-27-24-15-10-12-17-30(24)34-32(27)28/h9-12,14-21H,2-8,13,22H2,1H3
InChIKeyOOZTWVRNVFFZDN-UHFFFAOYSA-N
XLogP10.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

15-octyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242710
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745
15-ethyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242724
15-octyl-6,18-bis(4-phenylphenyl)-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242771
6,18-dinaphthalen-2-yl-15-octyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242770
11-hexyl-[1]benzothiolo[3,2-b]carbazole
CID 71062032
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
benzene;9-octylcarbazole
CID 175067369
9-octylcarbazol-1-ol
CID 160567195
1,2-dibromo-9-hexylcarbazole
CID 141427471

Frequently Asked Questions

What is the IUPAC name of 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (CID 135242711) is 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is CCCCCCCCCCn1c2ccccc2c2ccc3c(ccc4c5ccccc5sc43)c21.
What is the InChIKey of 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?
The InChIKey is OOZTWVRNVFFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NS/c1-2-3-4-5-6-7-8-13-22-33-29-16-11-9-14-23(29)25-18-21-28-26(31(25)33)19-20-27-24-15-10-12-17-30(24)34-32(27)28/h9-12,14-21H,2-8,13,22H2,1H3.
What are the key properties of 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?
15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene has a molecular weight of 463.69 g/mol, XLogP of 10.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 135242711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).