5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

C45H28N6 — CID 139315629

IUPAC5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc3nc(-n4c5ccccc5c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc54)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C45H28N6/c1-3-13-29(14-4-1)31-23-25-36-35(27-31)43(30-15-5-2-6-16-30)48-44(46-36)50-38-19-9-7-17-33(38)34-28-32(24-26-39(34)50)49-41-21-11-12-22-42(41)51-40-20-10-8-18-37(40)47-45(49)51/h1-28H
InChIKeyARXIKJQZUKEIDL-UHFFFAOYSA-N
MW652.76 g/mol
LogP10.81
Rot. Bonds4

About 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 139315629) has the molecular formula C45H28N6 and a molecular weight of 652.76 g/mol. Its IUPAC name is 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID139315629
Molecular FormulaC45H28N6
Molecular Weight652.76 g/mol
Exact Mass652.24
IUPAC Name5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc3nc(-n4c5ccccc5c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc54)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C45H28N6/c1-3-13-29(14-4-1)31-23-25-36-35(27-31)43(30-15-5-2-6-16-30)48-44(46-36)50-38-19-9-7-17-33(38)34-28-32(24-26-39(34)50)49-41-21-11-12-22-42(41)51-40-20-10-8-18-37(40)47-45(49)51/h1-28H
InChIKeyARXIKJQZUKEIDL-UHFFFAOYSA-N
XLogP10.81
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315832
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315805
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
6-phenyl-3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863159
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 146626433

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (CID 139315629) is 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc3nc(-n4c5ccccc5c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc54)nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is ARXIKJQZUKEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6/c1-3-13-29(14-4-1)31-23-25-36-35(27-31)43(30-15-5-2-6-16-30)48-44(46-36)50-38-19-9-7-17-33(38)34-28-32(24-26-39(34)50)49-41-21-11-12-22-42(41)51-40-20-10-8-18-37(40)47-45(49)51/h1-28H.
What are the key properties of 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 652.76 g/mol, XLogP of 10.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 139315629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).