5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole

C80H50N8 — CID 137390774

IUPAC5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5cccc(-c7cccc8c7nc7n(-c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9n87)c5n6-c5ccccc5)cc4n4c5ccccc5nc34)c2)cc1
InChIInChI=1S/C80H50N8/c1-5-20-51(21-6-1)52-22-17-29-60(46-52)86-73-45-41-55(49-75(73)87-71-36-16-14-34-67(71)81-79(86)87)54-39-43-70-66(48-54)64-33-18-32-63(78(64)84(70)58-25-9-3-10-26-58)62-31-19-37-74-77(62)82-80-85(59-27-11-4-12-28-59)72-44-40-56(50-76(72)88(74)80)53-38-42-69-65(47-53)61-30-13-15-35-68(61)83(69)57-23-7-2-8-24-57/h1-50H
InChIKeyUCRIUACULJQQGK-UHFFFAOYSA-N
MW1123.34 g/mol
LogP20.04
Rot. Bonds8

About 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole

5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 137390774) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID137390774
Molecular FormulaC80H50N8
Molecular Weight1123.34 g/mol
Exact Mass1122.42
IUPAC Name5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5cccc(-c7cccc8c7nc7n(-c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9n87)c5n6-c5ccccc5)cc4n4c5ccccc5nc34)c2)cc1
InChIInChI=1S/C80H50N8/c1-5-20-51(21-6-1)52-22-17-29-60(46-52)86-73-45-41-55(49-75(73)87-71-36-16-14-34-67(71)81-79(86)87)54-39-43-70-66(48-54)64-33-18-32-63(78(64)84(70)58-25-9-3-10-26-58)62-31-19-37-74-77(62)82-80-85(59-27-11-4-12-28-59)72-44-40-56(50-76(72)88(74)80)53-38-42-69-65(47-53)61-30-13-15-35-68(61)83(69)57-23-7-2-8-24-57/h1-50H
InChIKeyUCRIUACULJQQGK-UHFFFAOYSA-N
XLogP20.04
TPSA54.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.34
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole (CID 137390774) is 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5cccc(-c7cccc8c7nc7n(-c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9n87)c5n6-c5ccccc5)cc4n4c5ccccc5nc34)c2)cc1.
What is the InChIKey of 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is UCRIUACULJQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c1-5-20-51(21-6-1)52-22-17-29-60(46-52)86-73-45-41-55(49-75(73)87-71-36-16-14-34-67(71)81-79(86)87)54-39-43-70-66(48-54)64-33-18-32-63(78(64)84(70)58-25-9-3-10-26-58)62-31-19-37-74-77(62)82-80-85(59-27-11-4-12-28-59)72-44-40-56(50-76(72)88(74)80)53-38-42-69-65(47-53)61-30-13-15-35-68(61)83(69)57-23-7-2-8-24-57/h1-50H.
What are the key properties of 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole?
5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1123.34 g/mol, XLogP of 20.04, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(9-phenylcarbazol-3-yl)-7-[9-phenyl-6-[5-(3-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-1-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 137390774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).