7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine

C237H155N35O2S2 — CID 161140422

About 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine

7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine (PubChem CID 161140422) has the molecular formula C237H155N35O2S2 and a molecular weight of 3589.22 g/mol. Its IUPAC name is 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine.

Molecular Properties

• Compound Name: 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine
• PubChem CID: 161140422
• Molecular Formula: C237H155N35O2S2
• Molecular Weight: 3589.22 g/mol
• Exact Mass: 3586.25
• IUPAC Name: 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine
• SMILES: C1=Cc2ccccc2C(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C=Cc6ccccc65)nc4c3n2)c2ccccc21.c1ccc(N(c2ccccc2)c2cnc3c(c2)c2nccnc2c2cc(N(c4ccccc4)c4ccccc4)cnc23)cc1.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.c1ccc2c(c1)Sc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Sc4ccccc43)cnc12.c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4ccccc43)cnc12.c1cncc(-c2nccnc2-c2cccnc2)c1
• InChI: InChI=1S/C43H27N5.C38H22N6O2.C38H22N6S2.C38H22N6.C38H26N6.C14H10N4.2C14H13N/c1-5-13-31-27(9-1)17-18-28-10-2-6-14-32(28)39(31)35-23-21-33-40-41(45-26-25-44-40)34-22-24-38(47-43(34)42(33)46-35)48-36-15-7-3-11-29(36)19-20-30-12-4-8-16-37(30)48;2*1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)43(31)23-19-29-35-36(40-18-17-39-35)30-20-24(22-42-38(30)37(29)41-21-23)44-33-15-7-3-11-27(33)28-12-4-8-16-34(28)44;1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)31-23-33-35-36(40-22-21-39-35)34-24-32(26-42-38(34)37(33)41-25-31)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-11(9-15-5-1)13-14(18-8-7-17-13)12-4-2-6-16-10-12;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-26,39H;2*1-22H;1-22H;1-26H;1-10H;2*1-8,15H,9-10H2
• InChIKey: UNJGMSMAOZPTIE-UHFFFAOYSA-N
• XLogP: 59.06
• TPSA: 384.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3589.22
LogP ≤ 5	59.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?

The IUPAC name of 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine (CID 161140422) is 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine.

What is the SMILES notation for 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?

The canonical SMILES for 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine is C1=Cc2ccccc2C(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C=Cc6ccccc65)nc4c3n2)c2ccccc21.c1ccc(N(c2ccccc2)c2cnc3c(c2)c2nccnc2c2cc(N(c4ccccc4)c4ccccc4)cnc23)cc1.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.c1ccc2c(c1)Sc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Sc4ccccc43)cnc12.c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)c1nccnc1c1cc(-n3c4ccccc4c4ccccc43)cnc12.c1cncc(-c2nccnc2-c2cccnc2)c1.

What is the InChIKey of 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?

The InChIKey is UNJGMSMAOZPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5.C38H22N6O2.C38H22N6S2.C38H22N6.C38H26N6.C14H10N4.2C14H13N/c1-5-13-31-27(9-1)17-18-28-10-2-6-14-32(28)39(31)35-23-21-33-40-41(45-26-25-44-40)34-22-24-38(47-43(34)42(33)46-35)48-36-15-7-3-11-29(36)19-20-30-12-4-8-16-37(30)48;2*1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)43(31)23-19-29-35-36(40-18-17-39-35)30-20-24(22-42-38(30)37(29)41-21-23)44-33-15-7-3-11-27(33)28-12-4-8-16-34(28)44;1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)31-23-33-35-36(40-22-21-39-35)34-24-32(26-42-38(34)37(33)41-25-31)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-11(9-15-5-1)13-14(18-8-7-17-13)12-4-2-6-16-10-12;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-26,39H;2*1-22H;1-22H;1-26H;1-10H;2*1-8,15H,9-10H2.

What are the key properties of 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine?

7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine has a molecular weight of 3589.22 g/mol, XLogP of 59.06, 16 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzo[b][1]benzazepin-11-yl-10-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrazino[2,3-f][1,10]phenanthroline;6,11-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);2,3-dipyridin-3-ylpyrazine;10-(6-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenothiazine;10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine;6-N,6-N,11-N,11-N-tetraphenylpyrazino[2,3-f][1,10]phenanthroline-6,11-diamine is sourced from PubChem (CID 161140422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).