11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole

C56H35N5O — CID 146227021

IUPAC11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2ccccc2-c2cccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc1
InChIInChI=1S/C56H35N5O/c1-3-17-36(18-4-1)55-57-58-56(37-19-5-2-6-20-37)61(55)50-31-16-30-49-54(50)43-26-9-13-29-48(43)60(49)46-27-11-7-23-40(46)38-21-15-22-39(33-38)59-47-28-12-8-24-41(47)44-35-53-45(34-51(44)59)42-25-10-14-32-52(42)62-53/h1-35H
InChIKeyJDHWARDXCHJGTR-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.36
Rot. Bonds6

About 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 146227021) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID146227021
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2ccccc2-c2cccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc1
InChIInChI=1S/C56H35N5O/c1-3-17-36(18-4-1)55-57-58-56(37-19-5-2-6-20-37)61(55)50-31-16-30-49-54(50)43-26-9-13-29-48(43)60(49)46-27-11-7-23-40(46)38-21-15-22-39(33-38)59-47-28-12-8-24-41(47)44-35-53-45(34-51(44)59)42-25-10-14-32-52(42)62-53/h1-35H
InChIKeyJDHWARDXCHJGTR-UHFFFAOYSA-N
XLogP14.36
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 146227084
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226727
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 167259999
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
3-carbazol-9-yl-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-3-yl]carbazol-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 166836389
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(3-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(4-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(4-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-[3-(3-dibenzofuran-3-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 167667469
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
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148

Frequently Asked Questions

What is the IUPAC name of 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 146227021) is 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2ccccc2-c2cccc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc1.
What is the InChIKey of 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is JDHWARDXCHJGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-3-17-36(18-4-1)55-57-58-56(37-19-5-2-6-20-37)61(55)50-31-16-30-49-54(50)43-26-9-13-29-48(43)60(49)46-27-11-7-23-40(46)38-21-15-22-39(33-38)59-47-28-12-8-24-41(47)44-35-53-45(34-51(44)59)42-25-10-14-32-52(42)62-53/h1-35H.
What are the key properties of 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 793.93 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 146227021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).