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

C36H21NO2 — CID 171612094

IUPAC12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H21NO2/c1-5-13-30(23(9-1)22-17-20-34-29(21-22)26-12-4-7-15-32(26)38-34)37-31-14-6-2-10-24(31)27-18-19-28-25-11-3-8-16-33(25)39-36(28)35(27)37/h1-21H
InChIKeyFYWHXNSQBUCPQV-UHFFFAOYSA-N
MW499.57 g/mol
LogP10.25
Rot. Bonds2

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

12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 171612094) has the molecular formula C36H21NO2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID171612094
Molecular FormulaC36H21NO2
Molecular Weight499.57 g/mol
Exact Mass499.16
IUPAC Name12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H21NO2/c1-5-13-30(23(9-1)22-17-20-34-29(21-22)26-12-4-7-15-32(26)38-34)37-31-14-6-2-10-24(31)27-18-19-28-25-11-3-8-16-33(25)39-36(28)35(27)37/h1-21H
InChIKeyFYWHXNSQBUCPQV-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-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-6-cyanophenyl]dibenzofuran-2-carbonitrile;2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile;3-([1]benzofuro[2,3-a]carbazol-12-yl)-4-dibenzofuran-2-ylbenzonitrile;8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzofuran-2-carbonitrile
CID 160750863
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 163423190
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742

Frequently Asked Questions

What is the IUPAC name of 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 171612094) is 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is FYWHXNSQBUCPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NO2/c1-5-13-30(23(9-1)22-17-20-34-29(21-22)26-12-4-7-15-32(26)38-34)37-31-14-6-2-10-24(31)27-18-19-28-25-11-3-8-16-33(25)39-36(28)35(27)37/h1-21H.
What are the key properties of 12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-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-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 171612094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).