12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole

C36H21NO2 — CID 163673280

IUPAC12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/C36H21NO2/c1-4-13-30-25(10-1)27-17-19-34-35(28-12-3-6-15-32(28)39-34)36(27)37(30)24-9-7-8-22(20-24)23-16-18-33-29(21-23)26-11-2-5-14-31(26)38-33/h1-21H
InChIKeyJELCWKRJXOXPKJ-UHFFFAOYSA-N
MW499.57 g/mol
LogP10.25
Rot. Bonds2

About 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole

12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 163673280) has the molecular formula C36H21NO2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
PubChem CID163673280
Molecular FormulaC36H21NO2
Molecular Weight499.57 g/mol
Exact Mass499.16
IUPAC Name12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/C36H21NO2/c1-4-13-30-25(10-1)27-17-19-34-35(28-12-3-6-15-32(28)39-34)36(27)37(30)24-9-7-8-22(20-24)23-16-18-33-29(21-23)26-11-2-5-14-31(26)38-33/h1-21H
InChIKeyJELCWKRJXOXPKJ-UHFFFAOYSA-N
XLogP10.25
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
CID 163583098
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712

Frequently Asked Questions

What is the IUPAC name of 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole (CID 163673280) is 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.
What is the InChIKey of 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is JELCWKRJXOXPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NO2/c1-4-13-30-25(10-1)27-17-19-34-35(28-12-3-6-15-32(28)39-34)36(27)37(30)24-9-7-8-22(20-24)23-16-18-33-29(21-23)26-11-2-5-14-31(26)38-33/h1-21H.
What are the key properties of 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole?
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole has a molecular weight of 499.57 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 163673280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).