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

C50H31N5O — CID 146226936

IUPAC12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nnn(-c3cccc4c3c3ccccc3n4-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)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)44-28-15-27-43-46(44)38-22-8-11-24-40(38)53(43)41-25-12-13-26-42(41)54-39-23-10-7-20-34(39)36-30-31-37-35-21-9-14-29-45(35)56-50(37)49(36)54/h1-31H
InChIKeyWCKUMVOHOSNQIM-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

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

12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 146226936) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID146226936
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nnn(-c3cccc4c3c3ccccc3n4-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)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)44-28-15-27-43-46(44)38-22-8-11-24-40(38)53(43)41-25-12-13-26-42(41)54-39-23-10-7-20-34(39)36-30-31-37-35-21-9-14-29-45(35)56-50(37)49(36)54/h1-31H
InChIKeyWCKUMVOHOSNQIM-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
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
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
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226902
12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502599
11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227093
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146227203

Frequently Asked Questions

What is the IUPAC name of 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 146226936) is 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nnn(-c3cccc4c3c3ccccc3n4-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2-c2ccccc2)cc1.
What is the InChIKey of 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is WCKUMVOHOSNQIM-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)44-28-15-27-43-46(44)38-22-8-11-24-40(38)53(43)41-25-12-13-26-42(41)54-39-23-10-7-20-34(39)36-30-31-37-35-21-9-14-29-45(35)56-50(37)49(36)54/h1-31H.
What are the key properties of 12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[2-[4-(4,5-diphenyltriazol-1-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-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146226936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).