15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene

C28H21NSe — CID 145449768

IUPAC15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
SMILESCn1c2cc3c(cc2c2cc4[se]c5ccccc5c4cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C28H21NSe/c1-28(2)22-10-6-4-8-16(22)18-13-24-19(12-23(18)28)20-15-27-21(14-25(20)29(24)3)17-9-5-7-11-26(17)30-27/h4-15H,1-3H3
InChIKeyYVALSOWMVHBHSL-UHFFFAOYSA-N
MW450.44 g/mol
LogP7.00
Rot. Bonds

About 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene

15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene (PubChem CID 145449768) has the molecular formula C28H21NSe and a molecular weight of 450.44 g/mol. Its IUPAC name is 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene.

Molecular Properties

Compound Name15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
PubChem CID145449768
Molecular FormulaC28H21NSe
Molecular Weight450.44 g/mol
Exact Mass451.08
IUPAC Name15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
SMILESCn1c2cc3c(cc2c2cc4[se]c5ccccc5c4cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C28H21NSe/c1-28(2)22-10-6-4-8-16(22)18-13-24-19(12-23(18)28)20-15-27-21(14-25(20)29(24)3)17-9-5-7-11-26(17)30-27/h4-15H,1-3H3
InChIKeyYVALSOWMVHBHSL-UHFFFAOYSA-N
XLogP7.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.44
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The IUPAC name of 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene (CID 145449768) is 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene.
What is the SMILES notation for 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The canonical SMILES for 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene is Cn1c2cc3c(cc2c2cc4[se]c5ccccc5c4cc21)C(C)(C)c1ccccc1-3.
What is the InChIKey of 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The InChIKey is YVALSOWMVHBHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NSe/c1-28(2)22-10-6-4-8-16(22)18-13-24-19(12-23(18)28)20-15-27-21(14-25(20)29(24)3)17-9-5-7-11-26(17)30-27/h4-15H,1-3H3.
What are the key properties of 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene has a molecular weight of 450.44 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene is sourced from PubChem (CID 145449768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).