3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole

C47H29N3O — CID 67818381

IUPAC3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C47H29N3O/c1-2-12-31-27-35(25-23-30(31)11-1)50-44-21-7-5-19-41(44)48-47(50)33-13-9-14-34(28-33)49-42-20-6-3-15-37(42)40-29-32(24-26-43(40)49)36-17-10-18-39-38-16-4-8-22-45(38)51-46(36)39/h1-29H
InChIKeyYJODAYGBZQRSGI-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.51
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole

3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 67818381) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID67818381
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C47H29N3O/c1-2-12-31-27-35(25-23-30(31)11-1)50-44-21-7-5-19-41(44)48-47(50)33-13-9-14-34(28-33)49-42-20-6-3-15-37(42)40-29-32(24-26-43(40)49)36-17-10-18-39-38-16-4-8-22-45(38)51-46(36)39/h1-29H
InChIKeyYJODAYGBZQRSGI-UHFFFAOYSA-N
XLogP12.51
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 67819112
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
7-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-ylindolo[2,3-b]carbazole
CID 126580139
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161417407
9-[4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[4-[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 161304554

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole (CID 67818381) is 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole is c1cc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is YJODAYGBZQRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-12-31-27-35(25-23-30(31)11-1)50-44-21-7-5-19-41(44)48-47(50)33-13-9-14-34(28-33)49-42-20-6-3-15-37(42)40-29-32(24-26-43(40)49)36-17-10-18-39-38-16-4-8-22-45(38)51-46(36)39/h1-29H.
What are the key properties of 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole?
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 651.77 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 67818381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).