9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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

C₁₉₀H₁₁₆N₁₆OS — CID 160585426

About 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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 160585426) has the molecular formula C₁₉₀H₁₁₆N₁₆OS and a molecular weight of 2671.20 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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: 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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: 160585426
• Molecular Formula: C₁₉₀H₁₁₆N₁₆OS
• Molecular Weight: 2671.20 g/mol
• Exact Mass: 2668.92
• IUPAC Name: 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)c21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc12
• InChI: InChI=1S/2C49H32N4.C46H26N4O.C46H26N4S/c1-49(2)38-22-10-7-17-32(38)33-21-13-25-43(46(33)49)52-39-23-11-8-19-35(39)44-41(52)26-27-42-45(44)36-20-9-12-24-40(36)53(42)48-50-28-37-31-16-4-3-14-29(31)30-15-5-6-18-34(30)47(37)51-48;1-49(2)39-20-10-7-16-33(39)34-24-23-29(27-40(34)49)52-41-21-11-8-18-36(41)45-43(52)25-26-44-46(45)37-19-9-12-22-42(37)53(44)48-50-28-38-32-15-4-3-13-30(32)31-14-5-6-17-35(31)47(38)51-48;2*1-2-13-30-28(11-1)29-12-3-4-15-32(29)45-36(30)26-47-46(48-45)50-38-19-9-6-17-34(38)44-40(50)23-22-39-43(44)33-16-5-8-18-37(33)49(39)27-21-24-42-35(25-27)31-14-7-10-20-41(31)51-42/h2*3-28H,1-2H3;2*1-26H
• InChIKey: RCIGEWCCLFIYHM-UHFFFAOYSA-N
• XLogP: 49.40
• TPSA: 155.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2671.20
LogP ≤ 5	49.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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 160585426) is 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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 CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)c21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc12.

What is the InChIKey of 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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 RCIGEWCCLFIYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H32N4.C46H26N4O.C46H26N4S/c1-49(2)38-22-10-7-17-32(38)33-21-13-25-43(46(33)49)52-39-23-11-8-19-35(39)44-41(52)26-27-42-45(44)36-20-9-12-24-40(36)53(42)48-50-28-37-31-16-4-3-14-29(31)30-15-5-6-18-34(30)47(37)51-48;1-49(2)39-20-10-7-16-33(39)34-24-23-29(27-40(34)49)52-41-21-11-8-18-36(41)45-43(52)25-26-44-46(45)37-19-9-12-22-42(37)53(44)48-50-28-38-32-15-4-3-13-30(32)31-14-5-6-17-35(31)47(38)51-48;2*1-2-13-30-28(11-1)29-12-3-4-15-32(29)45-36(30)26-47-46(48-45)50-38-19-9-6-17-34(38)44-40(50)23-22-39-43(44)33-16-5-8-18-37(33)49(39)27-21-24-42-35(25-27)31-14-7-10-20-41(31)51-42/h2*3-28H,1-2H3;2*1-26H.

What are the key properties of 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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 2671.20 g/mol, XLogP of 49.40, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-dibenzothiophen-2-yl-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-1-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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-(9,9-dimethylfluoren-2-yl)-14-phenanthro[9,10-d]pyrimidin-2-yl-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 160585426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160585426 — identifiers, structure, computed properties (public domain)

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