5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole

C42H23NO3 — CID 170276888

IUPAC5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc34)cc12
InChIInChI=1S/C42H23NO3/c1-4-10-34-31(9-1)41-35(18-17-30-27-7-2-6-12-37(27)46-42(30)41)43(34)26-15-20-39-33(23-26)29-16-13-25(22-40(29)45-39)24-14-19-38-32(21-24)28-8-3-5-11-36(28)44-38/h1-23H
InChIKeyCNYIIZYORHNKEI-UHFFFAOYSA-N
MW589.65 g/mol
LogP12.15
Rot. Bonds2

About 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 170276888) has the molecular formula C42H23NO3 and a molecular weight of 589.65 g/mol. Its IUPAC name is 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID170276888
Molecular FormulaC42H23NO3
Molecular Weight589.65 g/mol
Exact Mass589.17
IUPAC Name5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc34)cc12
InChIInChI=1S/C42H23NO3/c1-4-10-34-31(9-1)41-35(18-17-30-27-7-2-6-12-37(27)46-42(30)41)43(34)26-15-20-39-33(23-26)29-16-13-25(22-40(29)45-39)24-14-19-38-32(21-24)28-8-3-5-11-36(28)44-38/h1-23H
InChIKeyCNYIIZYORHNKEI-UHFFFAOYSA-N
XLogP12.15
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604260
6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
CID 146176135
6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 118391237
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285118

Frequently Asked Questions

What is the IUPAC name of 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 170276888) is 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc34)cc12.
What is the InChIKey of 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CNYIIZYORHNKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NO3/c1-4-10-34-31(9-1)41-35(18-17-30-27-7-2-6-12-37(27)46-42(30)41)43(34)26-15-20-39-33(23-26)29-16-13-25(22-40(29)45-39)24-14-19-38-32(21-24)28-8-3-5-11-36(28)44-38/h1-23H.
What are the key properties of 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 589.65 g/mol, XLogP of 12.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 170276888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).