10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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

C74H45N3 — CID 146231018

About 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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 146231018) has the molecular formula C74H45N3 and a molecular weight of 976.19 g/mol. Its IUPAC name is 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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: 146231018
• Molecular Formula: C74H45N3
• Molecular Weight: 976.19 g/mol
• Exact Mass: 975.36
• IUPAC Name: 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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(-c5ccc6c7ccc(-c8ccc(-c9nc%10ccccc%10c%10cc%11c(cc9%10)-c9ccccc9C%11(c9ccccc9)c9ccccc9)cc8)cc7c7ccccc7c6c5)nc4c3n2)cc1
• InChI: InChI=1S/C74H45N3/c1-4-16-47(17-5-1)68-40-36-49-32-33-50-37-41-69(76-73(50)72(49)75-68)52-35-39-58-57-38-34-51(42-61(57)55-22-10-11-23-56(55)62(58)43-52)46-28-30-48(31-29-46)71-65-44-64-59-24-12-14-26-66(59)74(53-18-6-2-7-19-53,54-20-8-3-9-21-54)67(64)45-63(65)60-25-13-15-27-70(60)77-71/h1-45H
• InChIKey: REQCLQWKRCTXOL-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.19
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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 146231018) is 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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(-c5ccc6c7ccc(-c8ccc(-c9nc%10ccccc%10c%10cc%11c(cc9%10)-c9ccccc9C%11(c9ccccc9)c9ccccc9)cc8)cc7c7ccccc7c6c5)nc4c3n2)cc1.

What is the InChIKey of 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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 REQCLQWKRCTXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45N3/c1-4-16-47(17-5-1)68-40-36-49-32-33-50-37-41-69(76-73(50)72(49)75-68)52-35-39-58-57-38-34-51(42-61(57)55-22-10-11-23-56(55)62(58)43-52)46-28-30-48(31-29-46)71-65-44-64-59-24-12-14-26-66(59)74(53-18-6-2-7-19-53,54-20-8-3-9-21-54)67(64)45-63(65)60-25-13-15-27-70(60)77-71/h1-45H.

What are the key properties of 10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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 976.19 g/mol, XLogP of 18.98, 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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-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 146231018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).