2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C189H116N12O3 — CID 160763595

About 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 160763595) has the molecular formula C189H116N12O3 and a molecular weight of 2603.09 g/mol. Its IUPAC name is 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 160763595
• Molecular Formula: C189H116N12O3
• Molecular Weight: 2603.09 g/mol
• Exact Mass: 2600.93
• IUPAC Name: 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4cccc(-c5c6c(cc7c(-c8ccccc8)nc8ccccc8c57)oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-c4cccc(-c5c6c(cc7c(-c8ccccc8)nc8ccccc8c57)oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-c4c5c(cc6c(-c7ccccc7)nc7ccccc7c46)oc4ccccc45)c3)n2)cc1
• InChI: InChI=1S/2C65H40N4O.C59H36N4O/c1-3-17-42(18-4-1)55-40-56(46-22-16-24-48(38-46)69-57-30-12-8-25-49(57)50-26-9-13-31-58(50)69)68-65(67-55)44-35-33-41(34-36-44)45-21-15-23-47(37-45)61-62-51-27-7-11-29-54(51)66-64(43-19-5-2-6-20-43)53(62)39-60-63(61)52-28-10-14-32-59(52)70-60;1-3-16-42(17-4-1)55-40-56(43-34-36-48(37-35-43)69-57-27-12-8-22-49(57)50-23-9-13-28-58(50)69)68-65(67-55)45-32-30-41(31-33-45)46-20-15-21-47(38-46)61-62-51-24-7-11-26-54(51)66-64(44-18-5-2-6-19-44)53(62)39-60-63(61)52-25-10-14-29-59(52)70-60;1-3-17-37(18-4-1)49-36-50(39-21-16-24-42(34-39)63-51-30-12-8-25-43(51)44-26-9-13-31-52(44)63)62-59(61-49)41-23-15-22-40(33-41)55-56-45-27-7-11-29-48(45)60-58(38-19-5-2-6-20-38)47(56)35-54-57(55)46-28-10-14-32-53(46)64-54/h2*1-40H;1-36H
• InChIKey: RYJTWMWMXCQEOM-UHFFFAOYSA-N
• XLogP: 49.86
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2603.09
LogP ≤ 5	49.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 160763595) is 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-c4cccc(-c5c6c(cc7c(-c8ccccc8)nc8ccccc8c57)oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-c4cccc(-c5c6c(cc7c(-c8ccccc8)nc8ccccc8c57)oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-c4c5c(cc6c(-c7ccccc7)nc7ccccc7c46)oc4ccccc45)c3)n2)cc1.

What is the InChIKey of 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is RYJTWMWMXCQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H40N4O.C59H36N4O/c1-3-17-42(18-4-1)55-40-56(46-22-16-24-48(38-46)69-57-30-12-8-25-49(57)50-26-9-13-31-58(50)69)68-65(67-55)44-35-33-41(34-36-44)45-21-15-23-47(37-45)61-62-51-27-7-11-29-54(51)66-64(43-19-5-2-6-20-43)53(62)39-60-63(61)52-28-10-14-32-59(52)70-60;1-3-16-42(17-4-1)55-40-56(43-34-36-48(37-35-43)69-57-27-12-8-22-49(57)50-23-9-13-28-58(50)69)68-65(67-55)45-32-30-41(31-33-45)46-20-15-21-47(38-46)61-62-51-24-7-11-26-54(51)66-64(44-18-5-2-6-19-44)53(62)39-60-63(61)52-25-10-14-29-59(52)70-60;1-3-17-37(18-4-1)49-36-50(39-21-16-24-42(34-39)63-51-30-12-8-25-43(51)44-26-9-13-31-52(44)63)62-59(61-49)41-23-15-22-40(33-41)55-56-45-27-7-11-29-48(45)60-58(38-19-5-2-6-20-38)47(56)35-54-57(55)46-28-10-14-32-53(46)64-54/h2*1-40H;1-36H.

What are the key properties of 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 2603.09 g/mol, XLogP of 49.86, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 160763595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).