5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

C72H40N4 — CID 139396958

About 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 139396958) has the molecular formula C72H40N4 and a molecular weight of 961.14 g/mol. Its IUPAC name is 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

• Compound Name: 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
• PubChem CID: 139396958
• Molecular Formula: C72H40N4
• Molecular Weight: 961.14 g/mol
• Exact Mass: 960.33
• IUPAC Name: 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
• SMILES: c1ccc(-c2nc3cccc4c5ccc(-c6cc7c8ccccc8c(-c8ccc9c%10ccc(-c%11ccc%12c%13c(cccc%11%13)-c%11ccccc%11-%12)cc%10c%10c(-c%11ccccc%11)nc8n9%10)cc7c7ccccc67)cc5c2n34)cc1
• InChI: InChI=1S/C72H40N4/c1-3-15-41(16-4-1)68-70-62-38-44(30-32-52(62)64-27-14-28-66(73-68)75(64)70)58-39-60-51-24-12-11-23-50(51)59(40-61(60)49-22-10-9-21-48(49)58)57-35-36-65-53-31-29-43(37-63(53)71-69(74-72(57)76(65)71)42-17-5-2-6-18-42)45-33-34-56-47-20-8-7-19-46(47)55-26-13-25-54(45)67(55)56/h1-40H
• InChIKey: ZMTNGTADZJSCQU-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.14
LogP ≤ 5	19.07
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 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The IUPAC name of 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (CID 139396958) is 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

What is the SMILES notation for 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The canonical SMILES for 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is c1ccc(-c2nc3cccc4c5ccc(-c6cc7c8ccccc8c(-c8ccc9c%10ccc(-c%11ccc%12c%13c(cccc%11%13)-c%11ccccc%11-%12)cc%10c%10c(-c%11ccccc%11)nc8n9%10)cc7c7ccccc67)cc5c2n34)cc1.

What is the InChIKey of 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The InChIKey is ZMTNGTADZJSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40N4/c1-3-15-41(16-4-1)68-70-62-38-44(30-32-52(62)64-27-14-28-66(73-68)75(64)70)58-39-60-51-24-12-11-23-50(51)59(40-61(60)49-22-10-9-21-48(49)58)57-35-36-65-53-31-29-43(37-63(53)71-69(74-72(57)76(65)71)42-17-5-2-6-18-42)45-33-34-56-47-20-8-7-19-46(47)55-26-13-25-54(45)67(55)56/h1-40H.

What are the key properties of 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 961.14 g/mol, XLogP of 19.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 139396958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).