18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline

C105H78N4 — CID 158930712

About 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline

18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline (PubChem CID 158930712) has the molecular formula C105H78N4 and a molecular weight of 1395.81 g/mol. Its IUPAC name is 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline.

Molecular Properties

• Compound Name: 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline
• PubChem CID: 158930712
• Molecular Formula: C105H78N4
• Molecular Weight: 1395.81 g/mol
• Exact Mass: 1394.62
• IUPAC Name: 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline
• SMILES: CN1c2c(ccc3ccccc23)-c2ccccc2-c2ccc3ccccc3c21.CN1c2cc3ccccc3cc2-c2ccccc2-c2cc3ccccc3cc21.CN1c2ccc3ccccc3c2-c2ccccc2-c2c1ccc1ccccc21.CN1c2ccccc2C(C)(C)c2c1c1ccccc1c1ccccc21
• InChI: InChI=1S/3C27H19N.C24H21N/c1-28-26-16-20-10-4-2-8-18(20)14-24(26)22-12-6-7-13-23(22)25-15-19-9-3-5-11-21(19)17-27(25)28;1-28-24-16-14-18-8-2-4-10-20(18)26(24)22-12-6-7-13-23(22)27-21-11-5-3-9-19(21)15-17-25(27)28;1-28-26-20-10-4-2-8-18(20)14-16-24(26)22-12-6-7-13-23(22)25-17-15-19-9-3-5-11-21(19)27(25)28;1-24(2)20-14-8-9-15-21(20)25(3)23-19-13-7-5-11-17(19)16-10-4-6-12-18(16)22(23)24/h3*2-17H,1H3;4-15H,1-3H3
• InChIKey: JJABKDKIHAVKPA-UHFFFAOYSA-N
• XLogP: 28.63
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1395.81
LogP ≤ 5	28.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline?

The IUPAC name of 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline (CID 158930712) is 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline.

What is the SMILES notation for 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline?

The canonical SMILES for 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline is CN1c2c(ccc3ccccc23)-c2ccccc2-c2ccc3ccccc3c21.CN1c2cc3ccccc3cc2-c2ccccc2-c2cc3ccccc3cc21.CN1c2ccc3ccccc3c2-c2ccccc2-c2c1ccc1ccccc21.CN1c2ccccc2C(C)(C)c2c1c1ccccc1c1ccccc21.

What is the InChIKey of 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline?

The InChIKey is JJABKDKIHAVKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H19N.C24H21N/c1-28-26-16-20-10-4-2-8-18(20)14-24(26)22-12-6-7-13-23(22)25-15-19-9-3-5-11-21(19)17-27(25)28;1-28-24-16-14-18-8-2-4-10-20(18)26(24)22-12-6-7-13-23(22)27-21-11-5-3-9-19(21)15-17-25(27)28;1-28-26-20-10-4-2-8-18(20)14-16-24(26)22-12-6-7-13-23(22)25-17-15-19-9-3-5-11-21(19)27(25)28;1-24(2)20-14-8-9-15-21(20)25(3)23-19-13-7-5-11-17(19)16-10-4-6-12-18(16)22(23)24/h3*2-17H,1H3;4-15H,1-3H3.

What are the key properties of 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline?

18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline has a molecular weight of 1395.81 g/mol, XLogP of 28.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline is sourced from PubChem (CID 158930712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).