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

C50H31N5O — CID 153445986

IUPAC12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)47-48(55(52-51-47)33-17-5-2-6-18-33)41-24-14-27-44-46(41)40-23-8-11-26-43(40)53(44)34-19-13-20-35(31-34)54-42-25-10-7-21-36(42)38-29-30-39-37-22-9-12-28-45(37)56-50(39)49(38)54/h1-31H
InChIKeyXZZHHAVXLWKNCF-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

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

12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 153445986) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID153445986
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)47-48(55(52-51-47)33-17-5-2-6-18-33)41-24-14-27-44-46(41)40-23-8-11-26-43(40)53(44)34-19-13-20-35(31-34)54-42-25-10-7-21-36(42)38-29-30-39-37-22-9-12-28-45(37)56-50(39)49(38)54/h1-31H
InChIKeyXZZHHAVXLWKNCF-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

9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
CID 121241302
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
9-(3-carbazol-9-ylphenyl)-4-(1,5-diphenyltriazol-4-yl)carbazole
CID 121241303
12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146227203
(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 123907174
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226752
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
10-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]indole
CID 121298634

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 153445986) is 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.
What is the InChIKey of 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is XZZHHAVXLWKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-15-32(16-4-1)47-48(55(52-51-47)33-17-5-2-6-18-33)41-24-14-27-44-46(41)40-23-8-11-26-43(40)53(44)34-19-13-20-35(31-34)54-42-25-10-7-21-36(42)38-29-30-39-37-22-9-12-28-45(37)56-50(39)49(38)54/h1-31H.
What are the key properties of 12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[3-[4-(3,5-diphenyltriazol-4-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-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 153445986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).