6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene

C28H16N2+2 — CID 158761818

IUPAC6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
SMILESc1cc2ccc3ccc4c5c3c2[n+](c1)C51c2c(ccc3ccc5ccc[n+]1c5c23)C4
InChIInChI=1S/C28H16N2/c1-3-18-9-5-16-7-11-20-15-21-12-8-17-6-10-19-4-2-14-30-27(19)23(17)25(21)28(30)24(20)22(16)26(18)29(28)13-1/h1-14H,15H2/q+2
InChIKeyIHDCQLXZBMNVHS-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.70
Rot. Bonds

About 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene

6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene (PubChem CID 158761818) has the molecular formula C28H16N2+2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene.

Molecular Properties

Compound Name6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
PubChem CID158761818
Molecular FormulaC28H16N2+2
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
SMILESc1cc2ccc3ccc4c5c3c2[n+](c1)C51c2c(ccc3ccc5ccc[n+]1c5c23)C4
InChIInChI=1S/C28H16N2/c1-3-18-9-5-16-7-11-20-15-21-12-8-17-6-10-19-4-2-14-30-27(19)23(17)25(21)28(30)24(20)22(16)26(18)29(28)13-1/h1-14H,15H2/q+2
InChIKeyIHDCQLXZBMNVHS-UHFFFAOYSA-N
XLogP4.70
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene 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
CID 160951107
19-phenyl-16-oxa-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),5,7,10,13,17,19,21(28),22,24,26-tridecaene
CID 159242397
19,19-diethyl-1,15-diazoniapentacyclo[13.3.2.05,18.08,17.011,16]icosa-1,3,5(18),6,8(17),9,11(16),12,14-nonaene
CID 123977347
22-oxa-11-aza-4,33-diazoniaundecacyclo[19.16.0.02,18.03,11.04,37.05,10.012,17.023,36.026,35.029,34.033,37]heptatriaconta-1(21),2(18),3,5,7,9,12,14,16,19,23(36),24,26(35),27,29(34),30,32-heptadecaene
CID 158946789
24-tert-butylspiro[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),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];24-methylspiro[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),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];24-phenylspiro[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),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[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),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene]
CID 160666860
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene
CID 158508309
2,2-dichloro-1,3-dihydrophenalene
CID 174423090
undecacyclo[25.12.4.12,6.15,8.17,11.112,16.117,21.122,26.030,42.031,36.037,41]nonatetraconta-1(40),2(49),3,5,7,9,11(47),12,14,16(46),17,19,21(45),22(44),23,25,27(43),28,30(42),31,33,35,37(41),38-tetracosaene
CID 159424706
pentacyclo[11.8.0.02,10.03,7.014,19]henicosa-1(13),2(10),3(7),8,11,14,16,18,20-nonaene
CID 90921064
undecacyclo[28.6.2.29,12.02,25.03,23.05,21.07,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2(25),3(23),4,7(20),8,10(19),11,13,15,17,21,26,28,30(38),31,33,35,39-nonadecaene
CID 123971114

Frequently Asked Questions

What is the IUPAC name of 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
The IUPAC name of 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene (CID 158761818) is 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene.
What is the SMILES notation for 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
The canonical SMILES for 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene is c1cc2ccc3ccc4c5c3c2[n+](c1)C51c2c(ccc3ccc5ccc[n+]1c5c23)C4.
What is the InChIKey of 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
The InChIKey is IHDCQLXZBMNVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2/c1-3-18-9-5-16-7-11-20-15-21-12-8-17-6-10-19-4-2-14-30-27(19)23(17)25(21)28(30)24(20)22(16)26(18)29(28)13-1/h1-14H,15H2/q+2.
What are the key properties of 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene has a molecular weight of 380.45 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene is sourced from PubChem (CID 158761818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).