2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole

C95H56N16 — CID 146625799

About 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole

2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 146625799) has the molecular formula C95H56N16 and a molecular weight of 1421.61 g/mol. Its IUPAC name is 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 146625799
• Molecular Formula: C95H56N16
• Molecular Weight: 1421.61 g/mol
• Exact Mass: 1420.49
• IUPAC Name: 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4n4c5cc(-c6cccc7c6nc6n(-c8ccccc8-c8nc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccccc%10n%10c%11ccccc%11nc9%10)n8)c8ccccc8n76)ccc5nc34)n2)c1
• InChI: InChI=1S/C95H56N16/c1-10-36-69-59(26-1)60-27-2-11-37-70(60)103(69)75-42-16-7-32-65(75)91-98-86(104-71-38-12-3-28-61(71)62-29-4-13-39-72(62)104)56-89(100-91)111-83-50-24-22-48-81(83)109-85-54-57(52-53-68(85)97-94(109)111)58-34-25-51-84-90(58)102-95-106(78-45-19-20-46-79(78)108(84)95)76-43-17-8-33-66(76)92-99-87(105-73-40-14-5-30-63(73)64-31-6-15-41-74(64)105)55-88(101-92)110-82-49-23-21-47-80(82)107-77-44-18-9-35-67(77)96-93(107)110/h1-56H
• InChIKey: OIPCKOHDMVGQMI-UHFFFAOYSA-N
• XLogP: 21.79
• TPSA: 133.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1421.61
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole (CID 146625799) is 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4n4c5cc(-c6cccc7c6nc6n(-c8ccccc8-c8nc(-n9c%10ccccc%10c%10ccccc%109)cc(-n9c%10ccccc%10n%10c%11ccccc%11nc9%10)n8)c8ccccc8n76)ccc5nc34)n2)c1.

What is the InChIKey of 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?

The InChIKey is OIPCKOHDMVGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H56N16/c1-10-36-69-59(26-1)60-27-2-11-37-70(60)103(69)75-42-16-7-32-65(75)91-98-86(104-71-38-12-3-28-61(71)62-29-4-13-39-72(62)104)56-89(100-91)111-83-50-24-22-48-81(83)109-85-54-57(52-53-68(85)97-94(109)111)58-34-25-51-84-90(58)102-95-106(78-45-19-20-46-79(78)108(84)95)76-43-17-8-33-66(76)92-99-87(105-73-40-14-5-30-63(73)64-31-6-15-41-74(64)105)55-88(101-92)110-82-49-23-21-47-80(82)107-77-44-18-9-35-67(77)96-93(107)110/h1-56H.

What are the key properties of 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?

2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1421.61 g/mol, XLogP of 21.79, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146625799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).