coronene-1,2-didiazonium

C24H10N4+2 — CID 71408620

IUPACcoronene-1,2-didiazonium
SMILESN#[N+]c1c([N+]#N)c2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21
InChIInChI=1S/C24H10N4/c25-27-23-15-9-7-13-5-3-11-1-2-12-4-6-14-8-10-16(24(23)28-26)22-20(14)18(12)17(11)19(13)21(15)22/h1-10H/q+2
InChIKeyMRIKZJSQTBKDQN-UHFFFAOYSA-N
MW354.37 g/mol
LogP7.89
Rot. Bonds

About coronene-1,2-didiazonium

coronene-1,2-didiazonium (PubChem CID 71408620) has the molecular formula C24H10N4+2 and a molecular weight of 354.37 g/mol. Its IUPAC name is coronene-1,2-didiazonium.

Molecular Properties

Compound Namecoronene-1,2-didiazonium
PubChem CID71408620
Molecular FormulaC24H10N4+2
Molecular Weight354.37 g/mol
Exact Mass354.09
IUPAC Namecoronene-1,2-didiazonium
SMILESN#[N+]c1c([N+]#N)c2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21
InChIInChI=1S/C24H10N4/c25-27-23-15-9-7-13-5-3-11-1-2-12-4-6-14-8-10-16(24(23)28-26)22-20(14)18(12)17(11)19(13)21(15)22/h1-10H/q+2
InChIKeyMRIKZJSQTBKDQN-UHFFFAOYSA-N
XLogP7.89
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.37
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

coronene
CID 9115
2,3,8,9-tetrabromohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
CID 11353569
lithium;coronene;hydride
CID 174462222
decacyclo[27.5.2.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23(32),24,26(31),27,29,33,35-octadecaene
CID 102147031
2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
CID 102112728
hexahelicene-3,14-diamine
CID 102491196
undecacyclo[30.6.2.02,11.04,9.012,37.015,36.018,35.019,28.021,26.029,34.033,38]tetraconta-1(38),2,4,6,8,10,12(37),13,15(36),16,18(35),19,21,23,25,27,29(34),30,32,39-icosaene
CID 21083012
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
4,13-diazaoctacyclo[17.5.2.02,6.07,23.010,22.011,15.016,21.020,24]hexacosa-1(24),2(6),7(23),8,10(22),11(15),16(21),17,19,25-decaene-3,5,12,14-tetrone
CID 102228646
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
nonacyclo[23.5.2.02,15.04,13.06,11.016,29.019,28.022,27.026,30]dotriaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25,31-hexadecaene
CID 86253015
2-(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
CID 102308946

Frequently Asked Questions

What is the IUPAC name of coronene-1,2-didiazonium?
The IUPAC name of coronene-1,2-didiazonium (CID 71408620) is coronene-1,2-didiazonium.
What is the SMILES notation for coronene-1,2-didiazonium?
The canonical SMILES for coronene-1,2-didiazonium is N#[N+]c1c([N+]#N)c2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21.
What is the InChIKey of coronene-1,2-didiazonium?
The InChIKey is MRIKZJSQTBKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N4/c25-27-23-15-9-7-13-5-3-11-1-2-12-4-6-14-8-10-16(24(23)28-26)22-20(14)18(12)17(11)19(13)21(15)22/h1-10H/q+2.
What are the key properties of coronene-1,2-didiazonium?
coronene-1,2-didiazonium has a molecular weight of 354.37 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for coronene-1,2-didiazonium is sourced from PubChem (CID 71408620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).