5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C51H35N3 — CID 59147207

About 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 59147207) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
• PubChem CID: 59147207
• Molecular Formula: C51H35N3
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.28
• IUPAC Name: 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
• SMILES: CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2c1ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1ccccc1
• InChI: InChI=1S/C51H35N3/c1-51(2)41-26-24-33(53-43-20-10-6-16-35(43)36-17-7-11-21-44(36)53)30-39(41)49-42(51)27-29-48-50(49)40-31-34(25-28-47(40)52(48)32-14-4-3-5-15-32)54-45-22-12-8-18-37(45)38-19-9-13-23-46(38)54/h3-31H,1-2H3
• InChIKey: FENBZVKGYPMIEI-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.86
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?

The IUPAC name of 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 59147207) is 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

What is the SMILES notation for 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?

The canonical SMILES for 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2c1ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1ccccc1.

What is the InChIKey of 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?

The InChIKey is FENBZVKGYPMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)41-26-24-33(53-43-20-10-6-16-35(43)36-17-7-11-21-44(36)53)30-39(41)49-42(51)27-29-48-50(49)40-31-34(25-28-47(40)52(48)32-14-4-3-5-15-32)54-45-22-12-8-18-37(45)38-19-9-13-23-46(38)54/h3-31H,1-2H3.

What are the key properties of 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?

5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 689.86 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 59147207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).