3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole

C70H46N6 — CID 154934008

About 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole

3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole (PubChem CID 154934008) has the molecular formula C70H46N6 and a molecular weight of 971.18 g/mol. Its IUPAC name is 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole
• PubChem CID: 154934008
• Molecular Formula: C70H46N6
• Molecular Weight: 971.18 g/mol
• Exact Mass: 970.38
• IUPAC Name: 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole
• SMILES: C1=CCCC(c2nc3c4cc(-c5ccc6c(c5)c5ccc7c8ccccc8n(-c8ccccc8)c7c5n6-c5ccccc5)ccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3nc2-c2ccccc2)=C1
• InChI: InChI=1S/C70H46N6/c1-6-20-45(21-7-1)65-66(46-22-8-2-9-23-46)72-70-67(71-65)59-43-48(35-40-64(59)76(70)52-36-41-62-58(44-52)54-31-17-18-32-60(54)73(62)49-24-10-3-11-25-49)47-34-39-63-57(42-47)56-38-37-55-53-30-16-19-33-61(53)74(50-26-12-4-13-27-50)68(55)69(56)75(63)51-28-14-5-15-29-51/h1-6,8-20,22-44H,7,21H2
• InChIKey: JKLTVIKRQHBMBH-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.18
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole?

The IUPAC name of 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole (CID 154934008) is 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole.

What is the SMILES notation for 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole?

The canonical SMILES for 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole is C1=CCCC(c2nc3c4cc(-c5ccc6c(c5)c5ccc7c8ccccc8n(-c8ccccc8)c7c5n6-c5ccccc5)ccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3nc2-c2ccccc2)=C1.

What is the InChIKey of 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole?

The InChIKey is JKLTVIKRQHBMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N6/c1-6-20-45(21-7-1)65-66(46-22-8-2-9-23-46)72-70-67(71-65)59-43-48(35-40-64(59)76(70)52-36-41-62-58(44-52)54-31-17-18-32-60(54)73(62)49-24-10-3-11-25-49)47-34-39-63-57(42-47)56-38-37-55-53-30-16-19-33-61(53)74(50-26-12-4-13-27-50)68(55)69(56)75(63)51-28-14-5-15-29-51/h1-6,8-20,22-44H,7,21H2.

What are the key properties of 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole?

3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole has a molecular weight of 971.18 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 154934008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).