1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C100H60N10 — CID 134513737

About 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513737) has the molecular formula C100H60N10 and a molecular weight of 1401.65 g/mol. Its IUPAC name is 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134513737
• Molecular Formula: C100H60N10
• Molecular Weight: 1401.65 g/mol
• Exact Mass: 1400.50
• IUPAC Name: 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7cccc(-c8cccc(-c9cc(-c%10cc%11c%12ccccc%12n(-c%12nc%13ccccc%13c%13nc%14ccccc%14n%12%13)c%11c%11ccccc%10%11)cc(-c%10ccccc%10)n9)c8)c7c7nc8ccccc8n67)c5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C100H60N10/c1-4-26-63(27-5-1)86-55-68(56-87(101-86)64-28-6-2-7-29-64)61-50-52-62(53-51-61)78-59-80-73-36-15-21-47-91(73)108(95(80)75-38-12-10-34-71(75)78)100-106-85-45-25-41-70(94(85)98-104-84-44-19-23-49-93(84)110(98)100)66-32-24-33-67(54-66)89-58-69(57-88(102-89)65-30-8-3-9-31-65)79-60-81-74-37-16-20-46-90(74)107(96(81)76-39-13-11-35-72(76)79)99-105-82-42-17-14-40-77(82)97-103-83-43-18-22-48-92(83)109(97)99/h1-60H
• InChIKey: UQWZNQPHSCBGQZ-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 96.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.65
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134513737) is 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7cccc(-c8cccc(-c9cc(-c%10cc%11c%12ccccc%12n(-c%12nc%13ccccc%13c%13nc%14ccccc%14n%12%13)c%11c%11ccccc%10%11)cc(-c%10ccccc%10)n9)c8)c7c7nc8ccccc8n67)c5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is UQWZNQPHSCBGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60N10/c1-4-26-63(27-5-1)86-55-68(56-87(101-86)64-28-6-2-7-29-64)61-50-52-62(53-51-61)78-59-80-73-36-15-21-47-91(73)108(95(80)75-38-12-10-34-71(75)78)100-106-85-45-25-41-70(94(85)98-104-84-44-19-23-49-93(84)110(98)100)66-32-24-33-67(54-66)89-58-69(57-88(102-89)65-30-8-3-9-31-65)79-60-81-74-37-16-20-46-90(74)107(96(81)76-39-13-11-35-72(76)79)99-105-82-42-17-14-40-77(82)97-103-83-43-18-22-48-92(83)109(97)99/h1-60H.

What are the key properties of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1401.65 g/mol, XLogP of 25.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).