9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole

C53H39NO3 — CID 58501000

About 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole

9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole (PubChem CID 58501000) has the molecular formula C53H39NO3 and a molecular weight of 737.90 g/mol. Its IUPAC name is 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole
• PubChem CID: 58501000
• Molecular Formula: C53H39NO3
• Molecular Weight: 737.90 g/mol
• Exact Mass: 737.29
• IUPAC Name: 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole
• SMILES: COc1ccc2c(c1)C1(c3ccccc3)c3cc(OC)ccc3C2(c2ccccc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(OC)cc21
• InChI: InChI=1S/C53H39NO3/c1-55-38-25-27-43-45(30-38)53(36-18-8-5-9-19-36)46-31-39(56-2)26-28-44(46)52(43,35-16-6-4-7-17-35)47-32-42(51(57-3)33-48(47)53)34-15-14-20-37(29-34)54-49-23-12-10-21-40(49)41-22-11-13-24-50(41)54/h4-33H,1-3H3
• InChIKey: SQSDZVZRTXUTGW-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 32.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.90
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole?

The IUPAC name of 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole (CID 58501000) is 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole.

What is the SMILES notation for 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole?

The canonical SMILES for 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole is COc1ccc2c(c1)C1(c3ccccc3)c3cc(OC)ccc3C2(c2ccccc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(OC)cc21.

What is the InChIKey of 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole?

The InChIKey is SQSDZVZRTXUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO3/c1-55-38-25-27-43-45(30-38)53(36-18-8-5-9-19-36)46-31-39(56-2)26-28-44(46)52(43,35-16-6-4-7-17-35)47-32-42(51(57-3)33-48(47)53)34-15-14-20-37(29-34)54-49-23-12-10-21-40(49)41-22-11-13-24-50(41)54/h4-33H,1-3H3.

What are the key properties of 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole?

9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole has a molecular weight of 737.90 g/mol, XLogP of 11.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole is sourced from PubChem (CID 58501000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).