spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]

C50H28N4+2 — CID 158240975

About spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]

spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene] (PubChem CID 158240975) has the molecular formula C50H28N4+2 and a molecular weight of 684.80 g/mol. Its IUPAC name is spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene].

Molecular Properties

• Compound Name: spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]
• PubChem CID: 158240975
• Molecular Formula: C50H28N4+2
• Molecular Weight: 684.80 g/mol
• Exact Mass: 684.23
• IUPAC Name: spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccc3c4ccccc4n4c5ccccc5[n+]5c4c3c2C52c3c1ccc1c4ccccc4n(c31)-c1cccc[n+]12
• InChI: InChI=1S/C50H28N4/c1-5-17-35-29(13-1)30-14-2-6-18-36(30)49(35)37-26-24-33-31-15-3-7-19-39(31)52-41-21-9-10-22-42(41)54-48(52)44(33)45(37)50(54)46-38(49)27-25-34-32-16-4-8-20-40(32)53(47(34)46)43-23-11-12-28-51(43)50/h1-28H/q+2
• InChIKey: SKOPMINPJVKOLW-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 17.10 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.80
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]?

The IUPAC name of spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene] (CID 158240975) is spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene].

What is the SMILES notation for spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]?

The canonical SMILES for spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccc3c4ccccc4n4c5ccccc5[n+]5c4c3c2C52c3c1ccc1c4ccccc4n(c31)-c1cccc[n+]12.

What is the InChIKey of spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]?

The InChIKey is SKOPMINPJVKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4/c1-5-17-35-29(13-1)30-14-2-6-18-36(30)49(35)37-26-24-33-31-15-3-7-19-39(31)52-41-21-9-10-22-42(41)54-48(52)44(33)45(37)50(54)46-38(49)27-25-34-32-16-4-8-20-40(32)53(47(34)46)43-23-11-12-28-51(43)50/h1-28H/q+2.

What are the key properties of spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene]?

spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene] has a molecular weight of 684.80 g/mol, XLogP of 9.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for spiro[12,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,12.06,11.013,18.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,8,10,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene-23,9'-fluorene] is sourced from PubChem (CID 158240975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).