5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole

C56H33N5O2 — CID 146226881

IUPAC5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)cc5c4c3)n2-c2ccccc2)cc1
InChIInChI=1S/C56H33N5O2/c1-3-13-34(14-4-1)55-57-58-56(61(55)36-15-5-2-6-16-36)35-23-27-48-43(31-35)39-17-7-10-20-46(39)59(48)37-24-29-51-44(32-37)45-33-38(25-30-52(45)62-51)60-47-21-11-8-19-42(47)53-49(60)28-26-41-40-18-9-12-22-50(40)63-54(41)53/h1-33H
InChIKeyJNXSEIYWUWYMHP-UHFFFAOYSA-N
MW807.91 g/mol
LogP14.59
Rot. Bonds5

About 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146226881) has the molecular formula C56H33N5O2 and a molecular weight of 807.91 g/mol. Its IUPAC name is 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146226881
Molecular FormulaC56H33N5O2
Molecular Weight807.91 g/mol
Exact Mass807.26
IUPAC Name5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)cc5c4c3)n2-c2ccccc2)cc1
InChIInChI=1S/C56H33N5O2/c1-3-13-34(14-4-1)55-57-58-56(61(55)36-15-5-2-6-16-36)35-23-27-48-43(31-35)39-17-7-10-20-46(39)59(48)37-24-29-51-44(32-37)45-33-38(25-30-52(45)62-51)60-47-21-11-8-19-42(47)53-49(60)28-26-41-40-18-9-12-22-50(40)63-54(41)53/h1-33H
InChIKeyJNXSEIYWUWYMHP-UHFFFAOYSA-N
XLogP14.59
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
5-[3-[2-[4-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146227294
14-[3-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226869
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
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 171591736
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
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324769
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 160890735
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584

Frequently Asked Questions

What is the IUPAC name of 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 146226881) is 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nnc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)cc5c4c3)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is JNXSEIYWUWYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5O2/c1-3-13-34(14-4-1)55-57-58-56(61(55)36-15-5-2-6-16-36)35-23-27-48-43(31-35)39-17-7-10-20-46(39)59(48)37-24-29-51-44(32-37)45-33-38(25-30-52(45)62-51)60-47-21-11-8-19-42(47)53-49(60)28-26-41-40-18-9-12-22-50(40)63-54(41)53/h1-33H.
What are the key properties of 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 807.91 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146226881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).