2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

C96H54N8OS — CID 134513509

About 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513509) has the molecular formula C96H54N8OS and a molecular weight of 1367.61 g/mol. Its IUPAC name is 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134513509
• Molecular Formula: C96H54N8OS
• Molecular Weight: 1367.61 g/mol
• Exact Mass: 1366.41
• IUPAC Name: 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5oc6ccc(-c7ccc8nc(-n9c%10ccc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)cc%10c%10c%11ccccc%11ccc%109)n9c%10ccccc%10nc9c8c7)cc6c5c4)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12
• InChI: InChI=1S/C96H54N8OS/c1-3-16-66-58(14-1)37-46-85-90(66)75-53-61(39-44-81(75)101(85)95-99-77-22-7-5-19-71(77)93-97-79-23-8-10-25-83(79)103(93)95)55-28-30-56(31-29-55)63-41-48-87-72(50-63)73-51-65(42-49-88(73)105-87)64-36-43-78-74(52-64)94-98-80-24-9-11-26-84(80)104(94)96(100-78)102-82-45-40-62(54-76(82)91-67-17-4-2-15-59(67)38-47-86(91)102)57-32-34-60(35-33-57)68-20-13-21-70-69-18-6-12-27-89(69)106-92(68)70/h1-54H
• InChIKey: PVSZPWPMYUCLDT-UHFFFAOYSA-N
• XLogP: 25.49
• TPSA: 83.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1367.61
LogP ≤ 5	25.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (CID 134513509) is 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5oc6ccc(-c7ccc8nc(-n9c%10ccc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)cc%10c%10c%11ccccc%11ccc%109)n9c%10ccccc%10nc9c8c7)cc6c5c4)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.

What is the InChIKey of 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is PVSZPWPMYUCLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N8OS/c1-3-16-66-58(14-1)37-46-85-90(66)75-53-61(39-44-81(75)101(85)95-99-77-22-7-5-19-71(77)93-97-79-23-8-10-25-83(79)103(93)95)55-28-30-56(31-29-55)63-41-48-87-72(50-63)73-51-65(42-49-88(73)105-87)64-36-43-78-74(52-64)94-98-80-24-9-11-26-84(80)104(94)96(100-78)102-82-45-40-62(54-76(82)91-67-17-4-2-15-59(67)38-47-86(91)102)57-32-34-60(35-33-57)68-20-13-21-70-69-18-6-12-27-89(69)106-92(68)70/h1-54H.

What are the key properties of 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1367.61 g/mol, XLogP of 25.49, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).