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

C50H31N5O — CID 146226752

IUPAC5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c34)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-16-32(17-4-1)47-48(33-18-5-2-6-19-33)55(52-51-47)44-28-15-23-36-34-20-7-10-24-39(34)54(49(36)44)42-27-13-12-26-41(42)53-40-25-11-8-22-38(40)46-43(53)31-30-37-35-21-9-14-29-45(35)56-50(37)46/h1-31H
InChIKeyGBOXSBQBYJAMAY-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

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

5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146226752) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146226752
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c34)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-16-32(17-4-1)47-48(33-18-5-2-6-19-33)55(52-51-47)44-28-15-23-36-34-20-7-10-24-39(34)54(49(36)44)42-27-13-12-26-41(42)53-40-25-11-8-22-38(40)46-43(53)31-30-37-35-21-9-14-29-45(35)56-50(37)46/h1-31H
InChIKeyGBOXSBQBYJAMAY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226936
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226902
12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 146227197
11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226641
11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227093
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
15-naphthalen-1-yl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126677767

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 146226752) is 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c34)c2-c2ccccc2)cc1.
What is the InChIKey of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GBOXSBQBYJAMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-16-32(17-4-1)47-48(33-18-5-2-6-19-33)55(52-51-47)44-28-15-23-36-34-20-7-10-24-39(34)54(49(36)44)42-27-13-12-26-41(42)53-40-25-11-8-22-38(40)46-43(53)31-30-37-35-21-9-14-29-45(35)56-50(37)46/h1-31H.
What are the key properties of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[1-(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-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146226752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).