3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole

C58H43N — CID 170078460

About 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole

3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole (PubChem CID 170078460) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
• PubChem CID: 170078460
• Molecular Formula: C58H43N
• Molecular Weight: 753.99 g/mol
• Exact Mass: 753.34
• IUPAC Name: 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
• SMILES: CC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2-c2ccccc2CC1c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C58H43N/c1-39-51-32-30-46(36-55(51)52-23-9-8-18-49(52)38-54(39)48-21-12-19-44(34-48)41-16-6-3-7-17-41)47-31-33-58-56(37-47)53-24-10-11-25-57(53)59(58)50-22-13-20-45(35-50)43-28-26-42(27-29-43)40-14-4-2-5-15-40/h2-37,39,54H,38H2,1H3
• InChIKey: LPTWLTZAGFGMAS-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.99
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole?

The IUPAC name of 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole (CID 170078460) is 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole.

What is the SMILES notation for 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole?

The canonical SMILES for 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole is CC1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2-c2ccccc2CC1c1cccc(-c2ccccc2)c1.

What is the InChIKey of 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole?

The InChIKey is LPTWLTZAGFGMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-39-51-32-30-46(36-55(51)52-23-9-8-18-49(52)38-54(39)48-21-12-19-44(34-48)41-16-6-3-7-17-41)47-31-33-58-56(37-47)53-24-10-11-25-57(53)59(58)50-22-13-20-45(35-50)43-28-26-42(27-29-43)40-14-4-2-5-15-40/h2-37,39,54H,38H2,1H3.

What are the key properties of 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole?

3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 753.99 g/mol, XLogP of 15.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 170078460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).