12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

C50H31N5O — CID 146226627

IUPAC12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c34)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-16-32(17-4-1)49-51-50(55(52-49)33-18-5-2-6-19-33)40-24-15-23-37-34-20-7-10-25-41(34)53(46(37)40)43-27-12-13-28-44(43)54-42-26-11-8-21-35(42)38-30-31-39-36-22-9-14-29-45(36)56-48(39)47(38)54/h1-31H
InChIKeyYWXQPDNCPPGFBF-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

About 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 146226627) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID146226627
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c34)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-16-32(17-4-1)49-51-50(55(52-49)33-18-5-2-6-19-33)40-24-15-23-37-34-20-7-10-25-41(34)53(46(37)40)43-27-12-13-28-44(43)54-42-26-11-8-21-35(42)38-30-31-39-36-22-9-14-29-45(36)56-48(39)47(38)54/h1-31H
InChIKeyYWXQPDNCPPGFBF-UHFFFAOYSA-N
XLogP12.69
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[3-[2-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226741
12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146227203
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
12-dibenzofuran-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385266
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153889
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165012707
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601

Frequently Asked Questions

What is the IUPAC name of 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 146226627) is 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c34)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is YWXQPDNCPPGFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-16-32(17-4-1)49-51-50(55(52-49)33-18-5-2-6-19-33)40-24-15-23-37-34-20-7-10-25-41(34)53(46(37)40)43-27-12-13-28-44(43)54-42-26-11-8-21-35(42)38-30-31-39-36-22-9-14-29-45(36)56-48(39)47(38)54/h1-31H.
What are the key properties of 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 717.83 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146226627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).