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

C90H50N8OS — CID 134513658

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

2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513658) has the molecular formula C90H50N8OS and a molecular weight of 1291.51 g/mol. Its IUPAC name is 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134513658
• Molecular Formula: C90H50N8OS
• Molecular Weight: 1291.51 g/mol
• Exact Mass: 1290.38
• IUPAC Name: 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5nc6ccc(-c7ccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8nc9ccccc9c9nc%10ccccc%10n89)c8oc9ccccc9c78)cc6c6nc7ccccc7n56)cccc4c3c2)cc1
• InChI: InChI=1S/C90H50N8OS/c1-2-17-51(18-3-1)54-38-46-81-66(47-54)63-26-16-25-62(86(63)100-81)57-37-43-75-69(50-57)83-59-22-7-5-20-53(59)35-45-79(83)96(75)90-94-71-41-33-55(48-67(71)88-92-73-29-12-14-31-77(73)98(88)90)60-39-40-61(85-84(60)65-24-9-15-32-80(65)99-85)56-36-42-74-68(49-56)82-58-21-6-4-19-52(58)34-44-78(82)95(74)89-93-70-27-10-8-23-64(70)87-91-72-28-11-13-30-76(72)97(87)89/h1-50H
• InChIKey: BDXHNRSOVBVFQW-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 83.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1291.51
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (CID 134513658) is 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

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

The canonical SMILES for 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5nc6ccc(-c7ccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8nc9ccccc9c9nc%10ccccc%10n89)c8oc9ccccc9c78)cc6c6nc7ccccc7n56)cccc4c3c2)cc1.

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

The InChIKey is BDXHNRSOVBVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H50N8OS/c1-2-17-51(18-3-1)54-38-46-81-66(47-54)63-26-16-25-62(86(63)100-81)57-37-43-75-69(50-57)83-59-22-7-5-20-53(59)35-45-79(83)96(75)90-94-71-41-33-55(48-67(71)88-92-73-29-12-14-31-77(73)98(88)90)60-39-40-61(85-84(60)65-24-9-15-32-80(65)99-85)56-36-42-74-68(49-56)82-58-21-6-4-19-52(58)34-44-78(82)95(74)89-93-70-27-10-8-23-64(70)87-91-72-28-11-13-30-76(72)97(87)89/h1-50H.

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

2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1291.51 g/mol, XLogP of 23.82, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).