3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole

C36H21NO2 — CID 118504725

IUPAC3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc12
InChIInChI=1S/C36H21NO2/c1-4-10-31-25(7-1)29-19-22(23-14-18-35-30(20-23)27-9-3-6-12-34(27)38-35)13-17-32(29)37(31)24-15-16-28-26-8-2-5-11-33(26)39-36(28)21-24/h1-21H
InChIKeyIMYGQUDWKWQLGI-UHFFFAOYSA-N
MW499.57 g/mol
LogP10.25
Rot. Bonds2

About 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole

3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole (PubChem CID 118504725) has the molecular formula C36H21NO2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
PubChem CID118504725
Molecular FormulaC36H21NO2
Molecular Weight499.57 g/mol
Exact Mass499.16
IUPAC Name3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc12
InChIInChI=1S/C36H21NO2/c1-4-10-31-25(7-1)29-19-22(23-14-18-35-30(20-23)27-9-3-6-12-34(27)38-35)13-17-32(29)37(31)24-15-16-28-26-8-2-5-11-33(26)39-36(28)21-24/h1-21H
InChIKeyIMYGQUDWKWQLGI-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

3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
9-[7-(7-methyldibenzofuran-2-yl)dibenzofuran-3-yl]carbazole
CID 170079327
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole (CID 118504725) is 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)ccc12.
What is the InChIKey of 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole?
The InChIKey is IMYGQUDWKWQLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NO2/c1-4-10-31-25(7-1)29-19-22(23-14-18-35-30(20-23)27-9-3-6-12-34(27)38-35)13-17-32(29)37(31)24-15-16-28-26-8-2-5-11-33(26)39-36(28)21-24/h1-21H.
What are the key properties of 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole?
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole 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 3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole is sourced from PubChem (CID 118504725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).