2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane

C38H44N2+2 — CID 163924188

IUPAC2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane
SMILESCC.CC.CC.CC.c1ccc2c(c1)CC1=[N+]2C23c4c(cccc41)Cc1cccc(c12)C1=[N+]3c2ccccc2C1
InChIInChI=1S/C30H20N2.4C2H6/c1-3-13-24-18(7-1)16-26-22-11-5-9-20-15-21-10-6-12-23-27-17-19-8-2-4-14-25(19)32(27)30(28(20)22,29(21)23)31(24)26;4*1-2/h1-14H,15-17H2;4*1-2H3/q+2;;;;
InChIKeyQMZGDHJFYCNCOO-UHFFFAOYSA-N
MW528.78 g/mol
LogP9.30
Rot. Bonds

About 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane

2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane (PubChem CID 163924188) has the molecular formula C38H44N2+2 and a molecular weight of 528.78 g/mol. Its IUPAC name is 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane.

Molecular Properties

Compound Name2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane
PubChem CID163924188
Molecular FormulaC38H44N2+2
Molecular Weight528.78 g/mol
Exact Mass528.35
IUPAC Name2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane
SMILESCC.CC.CC.CC.c1ccc2c(c1)CC1=[N+]2C23c4c(cccc41)Cc1cccc(c12)C1=[N+]3c2ccccc2C1
InChIInChI=1S/C30H20N2.4C2H6/c1-3-13-24-18(7-1)16-26-22-11-5-9-20-15-21-10-6-12-23-27-17-19-8-2-4-14-25(19)32(27)30(28(20)22,29(21)23)31(24)26;4*1-2/h1-14H,15-17H2;4*1-2H3/q+2;;;;
InChIKeyQMZGDHJFYCNCOO-UHFFFAOYSA-N
XLogP9.30
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.78
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane with MolForge

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Related Compounds

5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(35),25,27,29,31,33-hexadecaene;5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17(28),18,20,22,24,26-tridecaene;5,37-diazoniaundecacyclo[22.13.1.01,5.02,22.03,19.04,12.06,11.013,18.028,38.029,37.031,36]octatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24(38),25,27,29(37),31,33,35-heptadecaene;ethane
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CID 174396064
CID 161204167
CID 161204167
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
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Frequently Asked Questions

What is the IUPAC name of 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane?
The IUPAC name of 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane (CID 163924188) is 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane.
What is the SMILES notation for 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane?
The canonical SMILES for 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane is CC.CC.CC.CC.c1ccc2c(c1)CC1=[N+]2C23c4c(cccc41)Cc1cccc(c12)C1=[N+]3c2ccccc2C1.
What is the InChIKey of 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane?
The InChIKey is QMZGDHJFYCNCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2.4C2H6/c1-3-13-24-18(7-1)16-26-22-11-5-9-20-15-21-10-6-12-23-27-17-19-8-2-4-14-25(19)32(27)30(28(20)22,29(21)23)31(24)26;4*1-2/h1-14H,15-17H2;4*1-2H3/q+2;;;;.
What are the key properties of 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane?
2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane has a molecular weight of 528.78 g/mol, XLogP of 9.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,30-diazonianonacyclo[15.13.1.11,11.02,10.03,8.021,31.022,30.024,29.015,32]dotriaconta-2(10),3,5,7,11,13,15(32),17(31),18,20,22(30),24,26,28-tetradecaene;ethane is sourced from PubChem (CID 163924188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).