10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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 146231028

About 10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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 146231028) has the molecular formula C70H43N3 and a molecular weight of 926.13 g/mol. Its IUPAC name is 10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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: 146231028
• Molecular Formula: C70H43N3
• Molecular Weight: 926.13 g/mol
• Exact Mass: 925.35
• IUPAC Name: 10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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(-c5ccc6c(ccc7ccc(-c8cccc(-c9nc%10ccccc%10c%10cc%11c(cc9%10)-c9ccccc9C%11(c9ccccc9)c9ccccc9)c8)cc76)c5)nc4c3n2)cc1
• InChI: InChI=1S/C70H43N3/c1-4-15-45(16-5-1)64-37-34-46-29-30-47-35-38-65(72-69(47)68(46)71-64)51-33-36-55-50(40-51)32-28-44-27-31-49(41-58(44)55)48-17-14-18-52(39-48)67-61-42-60-56-23-10-12-25-62(56)70(53-19-6-2-7-20-53,54-21-8-3-9-22-54)63(60)43-59(61)57-24-11-13-26-66(57)73-67/h1-43H
• InChIKey: CWUBWKDKXVCDBC-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_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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 146231028) is 10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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(-c5ccc6c(ccc7ccc(-c8cccc(-c9nc%10ccccc%10c%10cc%11c(cc9%10)-c9ccccc9C%11(c9ccccc9)c9ccccc9)c8)cc76)c5)nc4c3n2)cc1.

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

What are the key properties of 10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-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 146231028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).