3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole

C38H24N4O — CID 118243470

IUPAC3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc2oc3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5n5c6ccccc6nc45)cc3c2c1
InChIInChI=1S/C38H24N4O/c1-23-14-18-36-28(20-23)29-21-24(16-19-37(29)43-36)41-35-22-25(15-17-34(35)42-33-13-7-4-10-30(33)39-38(41)42)40-31-11-5-2-8-26(31)27-9-3-6-12-32(27)40/h2-22H,1H3
InChIKeyIZLMOLNANAIPOS-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.74
Rot. Bonds2

About 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole

3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 118243470) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID118243470
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc2oc3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5n5c6ccccc6nc45)cc3c2c1
InChIInChI=1S/C38H24N4O/c1-23-14-18-36-28(20-23)29-21-24(16-19-37(29)43-36)41-35-22-25(15-17-34(35)42-33-13-7-4-10-30(33)39-38(41)42)40-31-11-5-2-8-26(31)27-9-3-6-12-32(27)40/h2-22H,1H3
InChIKeyIZLMOLNANAIPOS-UHFFFAOYSA-N
XLogP9.74
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-6-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;3-carbazol-9-yl-9-(8-methyldibenzofuran-2-yl)carbazole;5-(8-methyldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole;9-(8-methyldibenzofuran-1-yl)carbazole;9-(8-methyldibenzofuran-2-yl)carbazole
CID 157203937
9-[8-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
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
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-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;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-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 158372183
2-dibenzofuran-4-yl-5-methylbenzimidazolo[1,2-a]benzimidazole;2-methyldibenzofuran;4-methyldibenzofuran;5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole;9-(3-methylphenyl)carbazole
CID 157476739
5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
CID 161427199
2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
CID 122468290
5-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 88958893
4-carbazol-9-yl-17-(8-carbazol-9-yldibenzothiophen-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 122546124
17-dibenzofuran-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-4-carbonitrile
CID 122546212

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole (CID 118243470) is 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole is Cc1ccc2oc3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5n5c6ccccc6nc45)cc3c2c1.
What is the InChIKey of 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is IZLMOLNANAIPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-23-14-18-36-28(20-23)29-21-24(16-19-37(29)43-36)41-35-22-25(15-17-34(35)42-33-13-7-4-10-30(33)39-38(41)42)40-31-11-5-2-8-26(31)27-9-3-6-12-32(27)40/h2-22H,1H3.
What are the key properties of 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole?
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 552.64 g/mol, XLogP of 9.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 118243470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).