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

C50H31N5O — CID 146226751

IUPAC5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4c3)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)48-49(33-17-5-2-6-18-33)55(52-51-48)34-27-28-36-35-19-7-10-22-40(35)54(45(36)31-34)43-25-13-12-24-42(43)53-41-23-11-8-21-39(41)47-44(53)30-29-38-37-20-9-14-26-46(37)56-50(38)47/h1-31H
InChIKeyFEUFIRUJEPJSIR-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

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

5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146226751) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146226751
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4c3)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)48-49(33-17-5-2-6-18-33)55(52-51-48)34-27-28-36-35-19-7-10-22-40(35)54(45(36)31-34)43-25-13-12-24-42(43)53-41-23-11-8-21-39(41)47-44(53)30-29-38-37-20-9-14-26-46(37)56-50(38)47/h1-31H
InChIKeyFEUFIRUJEPJSIR-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

5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226752
11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226641
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226936
12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 146227197
11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227093
12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
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
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 146226751) is 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nnn(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4c3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is FEUFIRUJEPJSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-15-32(16-4-1)48-49(33-17-5-2-6-18-33)55(52-51-48)34-27-28-36-35-19-7-10-22-40(35)54(45(36)31-34)43-25-13-12-24-42(43)53-41-23-11-8-21-39(41)47-44(53)30-29-38-37-20-9-14-26-46(37)56-50(38)47/h1-31H.
What are the key properties of 5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[2-(4,5-diphenyltriazol-1-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-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146226751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).