5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

C40H30N4 — CID 174283099

IUPAC5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(c1ccccc1)c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1
InChIInChI=1S/C40H30N4/c1-40(2,27-13-4-3-5-14-27)28-15-12-16-29(25-28)42-34-19-8-6-17-31(34)32-26-30(23-24-35(32)42)43-37-21-10-11-22-38(37)44-36-20-9-7-18-33(36)41-39(43)44/h3-26H,1-2H3
InChIKeyZWABOLPTNVRLOX-UHFFFAOYSA-N
MW566.71 g/mol
LogP9.85
Rot. Bonds4

About 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 174283099) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID174283099
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(c1ccccc1)c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1
InChIInChI=1S/C40H30N4/c1-40(2,27-13-4-3-5-14-27)28-15-12-16-29(25-28)42-34-19-8-6-17-31(34)32-26-30(23-24-35(32)42)43-37-21-10-11-22-38(37)44-36-20-9-7-18-33(36)41-39(43)44/h3-26H,1-2H3
InChIKeyZWABOLPTNVRLOX-UHFFFAOYSA-N
XLogP9.85
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480023
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;4-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]benzimidazole
CID 161328914
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (CID 174283099) is 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is CC(C)(c1ccccc1)c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.
What is the InChIKey of 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is ZWABOLPTNVRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-40(2,27-13-4-3-5-14-27)28-15-12-16-29(25-28)42-34-19-8-6-17-31(34)32-26-30(23-24-35(32)42)43-37-21-10-11-22-38(37)44-36-20-9-7-18-33(36)41-39(43)44/h3-26H,1-2H3.
What are the key properties of 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 566.71 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 174283099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).