5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole

C28H16ClNO — CID 164847899

IUPAC5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole
SMILESClc1cc(-n2c3ccccc3c3cc4ccccc4cc32)c2c(c1)oc1ccccc12
InChIInChI=1S/C28H16ClNO/c29-19-15-25(28-21-10-4-6-12-26(21)31-27(28)16-19)30-23-11-5-3-9-20(23)22-13-17-7-1-2-8-18(17)14-24(22)30/h1-16H
InChIKeyAWEYOYWKBJZSDI-UHFFFAOYSA-N
MW417.90 g/mol
LogP8.49
Rot. Bonds1

About 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole

5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole (PubChem CID 164847899) has the molecular formula C28H16ClNO and a molecular weight of 417.90 g/mol. Its IUPAC name is 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole
PubChem CID164847899
Molecular FormulaC28H16ClNO
Molecular Weight417.90 g/mol
Exact Mass417.09
IUPAC Name5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole
SMILESClc1cc(-n2c3ccccc3c3cc4ccccc4cc32)c2c(c1)oc1ccccc12
InChIInChI=1S/C28H16ClNO/c29-19-15-25(28-21-10-4-6-12-26(21)31-27(28)16-19)30-23-11-5-3-9-20(23)22-13-17-7-1-2-8-18(17)14-24(22)30/h1-16H
InChIKeyAWEYOYWKBJZSDI-UHFFFAOYSA-N
XLogP8.49
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
5-[3-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348049
5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163845474
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700089
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714916
5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164950412

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole?
The IUPAC name of 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole (CID 164847899) is 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole?
The canonical SMILES for 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole is Clc1cc(-n2c3ccccc3c3cc4ccccc4cc32)c2c(c1)oc1ccccc12.
What is the InChIKey of 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole?
The InChIKey is AWEYOYWKBJZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16ClNO/c29-19-15-25(28-21-10-4-6-12-26(21)31-27(28)16-19)30-23-11-5-3-9-20(23)22-13-17-7-1-2-8-18(17)14-24(22)30/h1-16H.
What are the key properties of 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole?
5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole has a molecular weight of 417.90 g/mol, XLogP of 8.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole is sourced from PubChem (CID 164847899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).