10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine

C75H48N6S — CID 155121010

About 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine

10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine (PubChem CID 155121010) has the molecular formula C75H48N6S and a molecular weight of 1065.32 g/mol. Its IUPAC name is 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine.

Molecular Properties

• Compound Name: 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine
• PubChem CID: 155121010
• Molecular Formula: C75H48N6S
• Molecular Weight: 1065.32 g/mol
• Exact Mass: 1064.37
• IUPAC Name: 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine
• SMILES: c1ccc(-c2cc(N3c4ccccc4Sc4cc5c(-c6ccccc6)cn(-c6cccc7c8cccnc8n(-c8ccccc8)c67)c5cc43)cc(-n3c4ccccc4c4cc5c(-c6ccccc6)cn(-c6ccccc6)c5cc43)c2)cc1
• InChI: InChI=1S/C75H48N6S/c1-6-22-49(23-7-1)52-40-55(79-65-35-17-16-32-57(65)60-43-61-63(50-24-8-2-9-25-50)47-77(68(61)45-70(60)79)53-28-12-4-13-29-53)42-56(41-52)80-66-36-18-19-38-72(66)82-73-44-62-64(51-26-10-3-11-27-51)48-78(69(62)46-71(73)80)67-37-20-33-58-59-34-21-39-76-75(59)81(74(58)67)54-30-14-5-15-31-54/h1-48H
• InChIKey: DNKADLXUYJZREP-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 35.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.32
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine?

The IUPAC name of 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine (CID 155121010) is 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine.

What is the SMILES notation for 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine?

The canonical SMILES for 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine is c1ccc(-c2cc(N3c4ccccc4Sc4cc5c(-c6ccccc6)cn(-c6cccc7c8cccnc8n(-c8ccccc8)c67)c5cc43)cc(-n3c4ccccc4c4cc5c(-c6ccccc6)cn(-c6ccccc6)c5cc43)c2)cc1.

What is the InChIKey of 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine?

The InChIKey is DNKADLXUYJZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N6S/c1-6-22-49(23-7-1)52-40-55(79-65-35-17-16-32-57(65)60-43-61-63(50-24-8-2-9-25-50)47-77(68(61)45-70(60)79)53-28-12-4-13-29-53)42-56(41-52)80-66-36-18-19-38-72(66)82-73-44-62-64(51-26-10-3-11-27-51)48-78(69(62)46-71(73)80)67-37-20-33-58-59-34-21-39-76-75(59)81(74(58)67)54-30-14-5-15-31-54/h1-48H.

What are the key properties of 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine?

10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine has a molecular weight of 1065.32 g/mol, XLogP of 20.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(1,3-diphenylpyrrolo[2,3-b]carbazol-9-yl)-5-phenylphenyl]-3-phenyl-1-(9-phenylpyrido[2,3-b]indol-8-yl)pyrrolo[2,3-b]phenothiazine is sourced from PubChem (CID 155121010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).