6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole

C37H24N4 — CID 70652228

IUPAC6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)nc4n(-c6ccccc6)c6ccccc6n54)ccc32)cc1
InChIInChI=1S/C37H24N4/c1-3-11-27(12-4-1)39-32-16-8-7-15-29(32)30-23-25(19-21-33(30)39)26-20-22-34-31(24-26)38-37-40(28-13-5-2-6-14-28)35-17-9-10-18-36(35)41(34)37/h1-24H
InChIKeyDGKVHRITULCEMP-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.20
Rot. Bonds3

About 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole

6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 70652228) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID70652228
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)nc4n(-c6ccccc6)c6ccccc6n54)ccc32)cc1
InChIInChI=1S/C37H24N4/c1-3-11-27(12-4-1)39-32-16-8-7-15-29(32)30-23-25(19-21-33(30)39)26-20-22-34-31(24-26)38-37-40(28-13-5-2-6-14-28)35-17-9-10-18-36(35)41(34)37/h1-24H
InChIKeyDGKVHRITULCEMP-UHFFFAOYSA-N
XLogP9.20
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole (CID 70652228) is 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)nc4n(-c6ccccc6)c6ccccc6n54)ccc32)cc1.
What is the InChIKey of 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is DGKVHRITULCEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-3-11-27(12-4-1)39-32-16-8-7-15-29(32)30-23-25(19-21-33(30)39)26-20-22-34-31(24-26)38-37-40(28-13-5-2-6-14-28)35-17-9-10-18-36(35)41(34)37/h1-24H.
What are the key properties of 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 524.63 g/mol, XLogP of 9.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 70652228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).