5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C62H38N8 — CID 140948008

IUPAC5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5n5c6ccccc6nc45)ccc32)cc1
InChIInChI=1S/C62H38N8/c1-3-15-41(16-4-1)65-51-23-11-7-19-45(51)47-37-43(29-33-53(47)65)67-57-31-27-39(35-59(57)69-55-25-13-9-21-49(55)63-61(67)69)40-28-32-58-60(36-40)70-56-26-14-10-22-50(56)64-62(70)68(58)44-30-34-54-48(38-44)46-20-8-12-24-52(46)66(54)42-17-5-2-6-18-42/h1-38H
InChIKeyMIZZUPOKSZEKKP-UHFFFAOYSA-N
MW895.04 g/mol
LogP15.04
Rot. Bonds5

About 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140948008) has the molecular formula C62H38N8 and a molecular weight of 895.04 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140948008
Molecular FormulaC62H38N8
Molecular Weight895.04 g/mol
Exact Mass894.32
IUPAC Name5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5n5c6ccccc6nc45)ccc32)cc1
InChIInChI=1S/C62H38N8/c1-3-15-41(16-4-1)65-51-23-11-7-19-45(51)47-37-43(29-33-53(47)65)67-57-31-27-39(35-59(57)69-55-25-13-9-21-49(55)63-61(67)69)40-28-32-58-60(36-40)70-56-26-14-10-22-50(56)64-62(70)68(58)44-30-34-54-48(38-44)46-20-8-12-24-52(46)66(54)42-17-5-2-6-18-42/h1-38H
InChIKeyMIZZUPOKSZEKKP-UHFFFAOYSA-N
XLogP15.04
TPSA54.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.04
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 140948008) is 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5n5c6ccccc6nc45)ccc32)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is MIZZUPOKSZEKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N8/c1-3-15-41(16-4-1)65-51-23-11-7-19-45(51)47-37-43(29-33-53(47)65)67-57-31-27-39(35-59(57)69-55-25-13-9-21-49(55)63-61(67)69)40-28-32-58-60(36-40)70-56-26-14-10-22-50(56)64-62(70)68(58)44-30-34-54-48(38-44)46-20-8-12-24-52(46)66(54)42-17-5-2-6-18-42/h1-38H.
What are the key properties of 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 895.04 g/mol, XLogP of 15.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-3-yl)-2-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140948008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).