4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C78H46N4O2 — CID 178110246

About 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 178110246) has the molecular formula C78H46N4O2 and a molecular weight of 1071.25 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 178110246
• Molecular Formula: C78H46N4O2
• Molecular Weight: 1071.25 g/mol
• Exact Mass: 1070.36
• IUPAC Name: 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4c5c(ccc43)[nH]c3cccc(-c4cccc6oc7cc(-c8cccc(-n9c%10ccccc%10c%10c%11c(ccc%109)[nH]c9cccc(-c%10ccc%12oc%13ccccc%13c%12c%10)c9%11)c8)ccc7c46)c35)c2)cc1
• InChI: InChI=1S/C78H46N4O2/c1-2-15-45(16-3-1)46-17-10-19-50(41-46)81-65-30-8-5-23-57(65)76-67(81)39-37-63-78(76)74-55(25-13-28-61(74)80-63)54-26-14-32-70-72(54)58-35-33-48(44-71(58)84-70)47-18-11-20-51(42-47)82-64-29-7-4-22-56(64)75-66(82)38-36-62-77(75)73-52(24-12-27-60(73)79-62)49-34-40-69-59(43-49)53-21-6-9-31-68(53)83-69/h1-44,79-80H
• InChIKey: HAXLMQXMEQAYGX-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 67.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.25
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 178110246) is 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cccc(-n3c4ccccc4c4c5c(ccc43)[nH]c3cccc(-c4cccc6oc7cc(-c8cccc(-n9c%10ccccc%10c%10c%11c(ccc%109)[nH]c9cccc(-c%10ccc%12oc%13ccccc%13c%12c%10)c9%11)c8)ccc7c46)c35)c2)cc1.

What is the InChIKey of 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is HAXLMQXMEQAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N4O2/c1-2-15-45(16-3-1)46-17-10-19-50(41-46)81-65-30-8-5-23-57(65)76-67(81)39-37-63-78(76)74-55(25-13-28-61(74)80-63)54-26-14-32-70-72(54)58-35-33-48(44-71(58)84-70)47-18-11-20-51(42-47)82-64-29-7-4-22-56(64)75-66(82)38-36-62-77(75)73-52(24-12-27-60(73)79-62)49-34-40-69-59(43-49)53-21-6-9-31-68(53)83-69/h1-44,79-80H.

What are the key properties of 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1071.25 g/mol, XLogP of 21.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-14-[3-[9-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl]dibenzofuran-3-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 178110246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).