10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C70H43N3 — CID 146231021

About 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 146231021) has the molecular formula C70H43N3 and a molecular weight of 926.13 g/mol. Its IUPAC name is 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 146231021
• Molecular Formula: C70H43N3
• Molecular Weight: 926.13 g/mol
• Exact Mass: 925.35
• IUPAC Name: 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)cc6)c6ccccc56)nc4c3n2)cc1
• InChI: InChI=1S/C70H43N3/c1-4-18-44(19-5-1)62-40-38-47-36-37-48-39-41-64(73-69(48)68(47)71-62)66-55-28-12-10-26-53(55)65(54-27-11-13-29-56(54)66)45-32-34-46(35-33-45)67-59-42-58-51-24-14-16-30-60(51)70(49-20-6-2-7-21-49,50-22-8-3-9-23-50)61(58)43-57(59)52-25-15-17-31-63(52)72-67/h1-43H
• InChIKey: FQBLRYYAGORZTA-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.13
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 146231021) is 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)cc6)c6ccccc56)nc4c3n2)cc1.

What is the InChIKey of 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is FQBLRYYAGORZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N3/c1-4-18-44(19-5-1)62-40-38-47-36-37-48-39-41-64(73-69(48)68(47)71-62)66-55-28-12-10-26-53(55)65(54-27-11-13-29-56(54)66)45-32-34-46(35-33-45)67-59-42-58-51-24-14-16-30-60(51)70(49-20-6-2-7-21-49,50-22-8-3-9-23-50)61(58)43-57(59)52-25-15-17-31-63(52)72-67/h1-43H.

What are the key properties of 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 926.13 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-diphenyl-21-[4-[10-(9-phenyl-1,10-phenanthrolin-2-yl)anthracen-9-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 146231021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).