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

C50H31N5O — CID 146226928

IUPAC5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)c3c2)cc1
InChIInChI=1S/C50H31N5O/c1-3-14-32(15-4-1)48-49(55(52-51-48)34-16-5-2-6-17-34)33-26-27-38-37-20-7-10-23-42(37)54(45(38)30-33)36-19-13-18-35(31-36)53-43-24-11-8-22-41(43)47-44(53)29-28-40-39-21-9-12-25-46(39)56-50(40)47/h1-31H
InChIKeyXYIVVYWVTKXEHH-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

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

5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146226928) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146226928
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)c3c2)cc1
InChIInChI=1S/C50H31N5O/c1-3-14-32(15-4-1)48-49(55(52-51-48)34-16-5-2-6-17-34)33-26-27-38-37-20-7-10-23-42(37)54(45(38)30-33)36-19-13-18-35(31-36)53-43-24-11-8-22-41(43)47-44(53)29-28-40-39-21-9-12-25-46(39)56-50(40)47/h1-31H
InChIKeyXYIVVYWVTKXEHH-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-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226752
12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 146227197
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
9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
CID 121241302
11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227093
12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226936
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
15-(4-phenylphenyl)-24-[3-(4-phenylquinazolin-2-yl)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 126678353
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 146226928) is 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)c3c2)cc1.
What is the InChIKey of 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is XYIVVYWVTKXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-14-32(15-4-1)48-49(55(52-51-48)34-16-5-2-6-17-34)33-26-27-38-37-20-7-10-23-42(37)54(45(38)30-33)36-19-13-18-35(31-36)53-43-24-11-8-22-41(43)47-44(53)29-28-40-39-21-9-12-25-46(39)56-50(40)47/h1-31H.
What are the key properties of 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]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 5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146226928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).