7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole

C56H35N5O — CID 146227084

IUPAC7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc1
InChIInChI=1S/C56H35N5O/c1-3-16-36(17-4-1)55-57-58-56(37-18-5-2-6-19-37)60(55)40-30-31-51-45(33-40)42-23-8-12-27-49(42)59(51)39-21-15-20-38(32-39)41-22-7-11-26-48(41)61-50-28-13-9-24-43(50)46-34-47-44-25-10-14-29-53(44)62-54(47)35-52(46)61/h1-35H
InChIKeyGZAHGCTVNAFCQE-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.36
Rot. Bonds6

About 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole

7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 146227084) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID146227084
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc1
InChIInChI=1S/C56H35N5O/c1-3-16-36(17-4-1)55-57-58-56(37-18-5-2-6-19-37)60(55)40-30-31-51-45(33-40)42-23-8-12-27-49(42)59(51)39-21-15-20-38(32-39)41-22-7-11-26-48(41)61-50-28-13-9-24-43(50)46-34-47-44-25-10-14-29-53(44)62-54(47)35-52(46)61/h1-35H
InChIKeyGZAHGCTVNAFCQE-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

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
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
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
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 146227252
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
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
10-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 121386084
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 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) is 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc1.
What is the InChIKey of 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is GZAHGCTVNAFCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-3-16-36(17-4-1)55-57-58-56(37-18-5-2-6-19-37)60(55)40-30-31-51-45(33-40)42-23-8-12-27-49(42)59(51)39-21-15-20-38(32-39)41-22-7-11-26-48(41)61-50-28-13-9-24-43(50)46-34-47-44-25-10-14-29-53(44)62-54(47)35-52(46)61/h1-35H.
What are the key properties of 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-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 7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146227084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).