6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C186H123N15 — CID 161246050

About 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 161246050) has the molecular formula C186H123N15 and a molecular weight of 2568.13 g/mol. Its IUPAC name is 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 161246050
• Molecular Formula: C186H123N15
• Molecular Weight: 2568.13 g/mol
• Exact Mass: 2566.01
• IUPAC Name: 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: CN1c2c(-c3cc4ccccc4c4ccccc34)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(C3=C4C=CC=C5C=CC6=C(C(=C3)CC=C6)C54)cccc2-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/C40H25N3.C40H27N3.C36H25N3.C36H23N3.C34H23N3/c1-42-34-20-9-19-33-39(34)43(40(41-33)25-10-3-2-4-11-25)35-21-8-18-32(38(35)42)26-22-23-31-29-15-6-13-24-12-5-14-28(36(24)29)30-17-7-16-27(26)37(30)31;1-42-36-19-10-18-35-39(36)43(40(41-35)28-11-3-2-4-12-28)37-20-9-17-31(38(37)42)26-21-23-27(24-22-26)34-25-29-13-5-6-14-30(29)32-15-7-8-16-33(32)34;1-38-30-17-8-16-29-35(30)39(36(37-29)24-9-3-2-4-10-24)31-18-7-15-27(34(31)38)28-21-25-13-5-11-22-19-20-23-12-6-14-26(28)33(23)32(22)25;1-38-31-18-9-17-30-35(31)39(36(37-30)22-10-3-2-4-11-22)32-19-8-16-29(34(32)38)25-20-21-28-24-13-6-5-12-23(24)26-14-7-15-27(25)33(26)28;1-36-30-19-10-18-29-33(30)37(34(35-29)22-11-3-2-4-12-22)31-20-9-17-27(32(31)36)28-21-23-13-5-6-14-24(23)25-15-7-8-16-26(25)28/h2-23H,1H3;2-25H,1H3;2-12,14-21,33H,13H2,1H3;2-21H,1H3;2-21H,1H3
• InChIKey: VAQRFVIPTCGIBZ-UHFFFAOYSA-N
• XLogP: 47.30
• TPSA: 105.30 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2568.13
LogP ≤ 5	47.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 161246050) is 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CN1c2c(-c3cc4ccccc4c4ccccc34)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)cccc2-n2c(-c3ccccc3)nc3cccc1c32.CN1c2c(C3=C4C=CC=C5C=CC6=C(C(=C3)CC=C6)C54)cccc2-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is VAQRFVIPTCGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3.C40H27N3.C36H25N3.C36H23N3.C34H23N3/c1-42-34-20-9-19-33-39(34)43(40(41-33)25-10-3-2-4-11-25)35-21-8-18-32(38(35)42)26-22-23-31-29-15-6-13-24-12-5-14-28(36(24)29)30-17-7-16-27(26)37(30)31;1-42-36-19-10-18-35-39(36)43(40(41-35)28-11-3-2-4-12-28)37-20-9-17-31(38(37)42)26-21-23-27(24-22-26)34-25-29-13-5-6-14-30(29)32-15-7-8-16-33(32)34;1-38-30-17-8-16-29-35(30)39(36(37-29)24-9-3-2-4-10-24)31-18-7-15-27(34(31)38)28-21-25-13-5-11-22-19-20-23-12-6-14-26(28)33(23)32(22)25;1-38-31-18-9-17-30-35(31)39(36(37-30)22-10-3-2-4-11-22)32-19-8-16-29(34(32)38)25-20-21-28-24-13-6-5-12-23(24)26-14-7-15-27(25)33(26)28;1-36-30-19-10-18-29-33(30)37(34(35-29)22-11-3-2-4-12-22)31-20-9-17-27(32(31)36)28-21-23-13-5-6-14-24(23)25-15-7-8-16-26(25)28/h2-23H,1H3;2-25H,1H3;2-12,14-21,33H,13H2,1H3;2-21H,1H3;2-21H,1H3.

What are the key properties of 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 2568.13 g/mol, XLogP of 47.30, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 161246050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).