5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene

C36H26N2 — CID 176726705

IUPAC5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
SMILESc1ccc2c(c1)c1c3c4ccccc4n4c5ccc(C6CCCCC6)cc5c(c5c6ccccc6n2c15)c34
InChIInChI=1S/C36H26N2/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)34-33-25-14-6-8-16-28(25)37-27-15-7-4-12-23(27)31(35(33)37)32-24-13-5-9-17-29(24)38(30)36(32)34/h4-9,12-21H,1-3,10-11H2
InChIKeyBNDOADGGGRSKSB-UHFFFAOYSA-N
MW486.62 g/mol
LogP10.03
Rot. Bonds1

About 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene

5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene (PubChem CID 176726705) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene.

Molecular Properties

Compound Name5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
PubChem CID176726705
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
SMILESc1ccc2c(c1)c1c3c4ccccc4n4c5ccc(C6CCCCC6)cc5c(c5c6ccccc6n2c15)c34
InChIInChI=1S/C36H26N2/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)34-33-25-14-6-8-16-28(25)37-27-15-7-4-12-23(27)31(35(33)37)32-24-13-5-9-17-29(24)38(30)36(32)34/h4-9,12-21H,1-3,10-11H2
InChIKeyBNDOADGGGRSKSB-UHFFFAOYSA-N
XLogP10.03
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene?
The IUPAC name of 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene (CID 176726705) is 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene.
What is the SMILES notation for 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene?
The canonical SMILES for 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene is c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(C6CCCCC6)cc5c(c5c6ccccc6n2c15)c34.
What is the InChIKey of 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene?
The InChIKey is BNDOADGGGRSKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)34-33-25-14-6-8-16-28(25)37-27-15-7-4-12-23(27)31(35(33)37)32-24-13-5-9-17-29(24)38(30)36(32)34/h4-9,12-21H,1-3,10-11H2.
What are the key properties of 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene?
5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene has a molecular weight of 486.62 g/mol, XLogP of 10.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene is sourced from PubChem (CID 176726705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).