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

C56H35N5O — CID 146226727

IUPAC5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc4c3c3ccccc3n4-c3ccccc3-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2-c2ccccc2)cc1
InChIInChI=1S/C56H35N5O/c1-3-17-36(18-4-1)55-57-58-56(60(55)38-20-5-2-6-21-38)45-27-16-31-49-52(45)43-25-8-13-30-48(43)61(49)46-28-11-7-23-40(46)37-19-15-22-39(35-37)59-47-29-12-9-26-44(47)53-50(59)34-33-42-41-24-10-14-32-51(41)62-54(42)53/h1-35H
InChIKeyDAYJQXOTARSMMC-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.36
Rot. Bonds6

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

5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146226727) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146226727
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc4c3c3ccccc3n4-c3ccccc3-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2-c2ccccc2)cc1
InChIInChI=1S/C56H35N5O/c1-3-17-36(18-4-1)55-57-58-56(60(55)38-20-5-2-6-21-38)45-27-16-31-49-52(45)43-25-8-13-30-48(43)61(49)46-28-11-7-23-40(46)37-19-15-22-39(35-37)59-47-29-12-9-26-44(47)53-50(59)34-33-42-41-24-10-14-32-51(41)62-54(42)53/h1-35H
InChIKeyDAYJQXOTARSMMC-UHFFFAOYSA-N
XLogP14.36
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
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-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]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 146226786
15-dibenzofuran-4-yl-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(3-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160912850
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
11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227021
7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 146227084
6-(3-dibenzofuran-4-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;prop-1-ene
CID 144604324
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246
5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 146226727) is 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nnc(-c3cccc4c3c3ccccc3n4-c3ccccc3-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is DAYJQXOTARSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-3-17-36(18-4-1)55-57-58-56(60(55)38-20-5-2-6-21-38)45-27-16-31-49-52(45)43-25-8-13-30-48(43)61(49)46-28-11-7-23-40(46)37-19-15-22-39(35-37)59-47-29-12-9-26-44(47)53-50(59)34-33-42-41-24-10-14-32-51(41)62-54(42)53/h1-35H.
What are the key properties of 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 793.93 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146226727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).