9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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

C144H90N12O — CID 159103705

About 9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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 159103705) has the molecular formula C144H90N12O and a molecular weight of 2004.39 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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: 159103705
• Molecular Formula: C144H90N12O
• Molecular Weight: 2004.39 g/mol
• Exact Mass: 2002.74
• IUPAC Name: 9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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(-c6cnc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5ccc43)c21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc12
• InChI: InChI=1S/2C49H32N4.C46H26N4O/c1-49(2)37-22-10-7-16-31(37)32-21-13-25-42(46(32)49)52-38-23-11-8-19-35(38)44-40(52)26-27-41-45(44)36-20-9-12-24-39(36)53(41)43-28-50-47-33-17-5-3-14-29(33)30-15-4-6-18-34(30)48(47)51-43;1-49(2)38-20-10-7-15-32(38)33-24-23-29(27-39(33)49)52-40-21-11-8-18-36(40)45-42(52)25-26-43-46(45)37-19-9-12-22-41(37)53(43)44-28-50-47-34-16-5-3-13-30(34)31-14-4-6-17-35(31)48(47)51-44;1-3-14-31-28(11-1)29-12-2-4-15-32(29)46-45(31)47-26-42(48-46)50-37-19-9-6-17-34(37)44-39(50)23-22-38-43(44)33-16-5-8-18-36(33)49(38)27-21-24-41-35(25-27)30-13-7-10-20-40(30)51-41/h2*3-28H,1-2H3;1-26H
• InChIKey: KDPMTYBKVQGAHX-UHFFFAOYSA-N
• XLogP: 36.90
• TPSA: 120.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.39
LogP ≤ 5	36.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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 159103705) is 9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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(-c6cnc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5ccc43)c21.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5ccc43)cc12.

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

What are the key properties of 9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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 2004.39 g/mol, XLogP of 36.90, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-14-phenanthro[9,10-b]pyrazin-3-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-b]pyrazin-3-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-b]pyrazin-3-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 159103705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).