11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C66H41N3O2 — CID 129289224

About 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 129289224) has the molecular formula C66H41N3O2 and a molecular weight of 908.07 g/mol. Its IUPAC name is 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 129289224
• Molecular Formula: C66H41N3O2
• Molecular Weight: 908.07 g/mol
• Exact Mass: 907.32
• IUPAC Name: 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6cc7c8c(c6)Oc6ccccc6N8c6ccccc6O7)ccc54)c3)c2)cc1
• InChI: InChI=1S/C66H41N3O2/c1-3-15-42(16-4-1)44-19-13-20-45(35-44)46-21-14-22-50(36-46)67-56-24-8-7-23-52(56)53-38-48(30-33-57(53)67)49-31-34-59-55(39-49)54-37-47(43-17-5-2-6-18-43)29-32-58(54)68(59)51-40-64-66-65(41-51)71-63-28-12-10-26-61(63)69(66)60-25-9-11-27-62(60)70-64/h1-41H
• InChIKey: XUOOWTHVCUITLH-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 31.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.07
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 129289224) is 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6cc7c8c(c6)Oc6ccccc6N8c6ccccc6O7)ccc54)c3)c2)cc1.

What is the InChIKey of 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is XUOOWTHVCUITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O2/c1-3-15-42(16-4-1)44-19-13-20-45(35-44)46-21-14-22-50(36-46)67-56-24-8-7-23-52(56)53-38-48(30-33-57(53)67)49-31-34-59-55(39-49)54-37-47(43-17-5-2-6-18-43)29-32-58(54)68(59)51-40-64-66-65(41-51)71-63-28-12-10-26-61(63)69(66)60-25-9-11-27-62(60)70-64/h1-41H.

What are the key properties of 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 908.07 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 129289224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).