1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium

C73H96N3+3 — CID 158050739

About 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium

1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium (PubChem CID 158050739) has the molecular formula C73H96N3+3 and a molecular weight of 1015.59 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium
• PubChem CID: 158050739
• Molecular Formula: C73H96N3+3
• Molecular Weight: 1015.59 g/mol
• Exact Mass: 1014.76
• IUPAC Name: 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium
• SMILES: Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)[n+]2C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)c(C)c(C)c1c(C)c(C)c(C)[n+](C)c12.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1c1c2c(C)c(C)c(C)[n+]1C
• InChI: InChI=1S/C29H36N.C23H30N.C21H30N/c1-13-14(2)19(7)26-24(18(13)6)25-20(8)15(3)16(4)21(9)27(25)29-28(26)22(10)17(5)23(11)30(29)12;1-11-12(2)15(5)22-20(14(11)4)17(7)18(8)21-16(6)13(3)19(9)24(10)23(21)22;1-11-12(2)16(6)20(17(7)13(11)3)21-18(8)14(4)15(5)19(9)22(21)10/h1-12H3;1-10H3;1-10H3/q3*+1
• InChIKey: DXMMVEBICDEUBL-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 11.64 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.59
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium?

The IUPAC name of 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium (CID 158050739) is 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium.

What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium?

The canonical SMILES for 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium is Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)[n+]2C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)c(C)c(C)c1c(C)c(C)c(C)[n+](C)c12.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1c1c2c(C)c(C)c(C)[n+]1C.

What is the InChIKey of 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium?

The InChIKey is DXMMVEBICDEUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N.C23H30N.C21H30N/c1-13-14(2)19(7)26-24(18(13)6)25-20(8)15(3)16(4)21(9)27(25)29-28(26)22(10)17(5)23(11)30(29)12;1-11-12(2)15(5)22-20(14(11)4)17(7)18(8)21-16(6)13(3)19(9)24(10)23(21)22;1-11-12(2)16(6)20(17(7)13(11)3)21-18(8)14(4)15(5)19(9)22(21)10/h1-12H3;1-10H3;1-10H3/q3*+1.

What are the key properties of 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium?

1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium has a molecular weight of 1015.59 g/mol, XLogP of 17.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium is sourced from PubChem (CID 158050739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).