9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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

C158H102N10O — CID 161408244

IUPAC9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7ccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6ccc54)c3)cc2)cc1
InChIInChI=1S/C58H38N4.C53H35N3.C47H29N3O/c1-4-15-39(16-5-1)41-27-29-44(30-28-41)51-38-50(43-19-8-3-9-20-43)59-58(60-51)45-21-14-22-47(37-45)62-53-26-13-11-24-49(53)57-55(62)36-35-54-56(57)48-23-10-12-25-52(48)61(54)46-33-31-42(32-34-46)40-17-6-2-7-18-40;1-4-14-36(15-5-1)38-24-26-40(27-25-38)42-34-46(41-18-8-3-9-19-41)54-51(35-42)56-48-23-13-11-21-45(48)53-50(56)33-32-49-52(53)44-20-10-12-22-47(44)55(49)43-30-28-39(29-31-43)37-16-6-2-7-17-37;1-3-14-30(15-4-1)37-28-32(29-38(48-37)31-16-5-2-6-17-31)49-39-22-10-7-19-35(39)45-41(49)26-27-42-46(45)36-20-8-11-23-40(36)50(42)43-24-13-21-34-33-18-9-12-25-44(33)51-47(34)43/h1-38H;1-35H;1-29H
InChIKeyVVDCDBXTYWHIPB-UHFFFAOYSA-N
MW2156.62 g/mol
LogP41.46
Rot. Bonds17

About 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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

9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 161408244) has the molecular formula C158H102N10O and a molecular weight of 2156.62 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 Name9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 CID161408244
Molecular FormulaC158H102N10O
Molecular Weight2156.62 g/mol
Exact Mass2154.82
IUPAC Name9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7ccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6ccc54)c3)cc2)cc1
InChIInChI=1S/C58H38N4.C53H35N3.C47H29N3O/c1-4-15-39(16-5-1)41-27-29-44(30-28-41)51-38-50(43-19-8-3-9-20-43)59-58(60-51)45-21-14-22-47(37-45)62-53-26-13-11-24-49(53)57-55(62)36-35-54-56(57)48-23-10-12-25-52(48)61(54)46-33-31-42(32-34-46)40-17-6-2-7-18-40;1-4-14-36(15-5-1)38-24-26-40(27-25-38)42-34-46(41-18-8-3-9-19-41)54-51(35-42)56-48-23-13-11-21-45(48)53-50(56)33-32-49-52(53)44-20-10-12-22-47(44)55(49)43-30-28-39(29-31-43)37-16-6-2-7-17-37;1-3-14-30(15-4-1)37-28-32(29-38(48-37)31-16-5-2-6-17-31)49-39-22-10-7-19-35(39)45-41(49)26-27-42-46(45)36-20-8-11-23-40(36)50(42)43-24-13-21-34-33-18-9-12-25-44(33)51-47(34)43/h1-38H;1-35H;1-29H
InChIKeyVVDCDBXTYWHIPB-UHFFFAOYSA-N
XLogP41.46
TPSA94.28 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.62
LogP ≤ 541.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 161408244) is 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7ccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6ccc54)c3)cc2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 VVDCDBXTYWHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C53H35N3.C47H29N3O/c1-4-15-39(16-5-1)41-27-29-44(30-28-41)51-38-50(43-19-8-3-9-20-43)59-58(60-51)45-21-14-22-47(37-45)62-53-26-13-11-24-49(53)57-55(62)36-35-54-56(57)48-23-10-12-25-52(48)61(54)46-33-31-42(32-34-46)40-17-6-2-7-18-40;1-4-14-36(15-5-1)38-24-26-40(27-25-38)42-34-46(41-18-8-3-9-19-41)54-51(35-42)56-48-23-13-11-21-45(48)53-50(56)33-32-49-52(53)44-20-10-12-22-47(44)55(49)43-30-28-39(29-31-43)37-16-6-2-7-17-37;1-3-14-30(15-4-1)37-28-32(29-38(48-37)31-16-5-2-6-17-31)49-39-22-10-7-19-35(39)45-41(49)26-27-42-46(45)36-20-8-11-23-40(36)50(42)43-24-13-21-34-33-18-9-12-25-44(33)51-47(34)43/h1-38H;1-35H;1-29H.
What are the key properties of 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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?
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 2156.62 g/mol, XLogP of 41.46, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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;9-(4-phenylphenyl)-14-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-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;9-(4-phenylphenyl)-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-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 161408244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).