7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C63H37N5O2 — CID 134223362

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6cc8c(cc6n7-c6ccccc6)oc6ccccc68)ccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1
InChIInChI=1S/C63H37N5O2/c1-4-15-38(16-5-1)61-64-62(39-17-6-2-7-18-39)66-63(65-61)42-19-14-22-44(31-42)68-54-33-41(27-29-45(54)49-34-51-46-23-10-12-25-57(46)69-59(51)36-55(49)68)40-28-30-53-48(32-40)50-35-52-47-24-11-13-26-58(47)70-60(52)37-56(50)67(53)43-20-8-3-9-21-43/h1-37H
InChIKeyHDKYINNFYNEQLQ-UHFFFAOYSA-N
MW896.02 g/mol
LogP16.53
Rot. Bonds6

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223362) has the molecular formula C63H37N5O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223362
Molecular FormulaC63H37N5O2
Molecular Weight896.02 g/mol
Exact Mass895.29
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6cc8c(cc6n7-c6ccccc6)oc6ccccc68)ccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1
InChIInChI=1S/C63H37N5O2/c1-4-15-38(16-5-1)61-64-62(39-17-6-2-7-18-39)66-63(65-61)42-19-14-22-44(31-42)68-54-33-41(27-29-45(54)49-34-51-46-23-10-12-25-57(46)69-59(51)36-55(49)68)40-28-30-53-48(32-40)50-35-52-47-24-11-13-26-58(47)70-60(52)37-56(50)67(53)43-20-8-3-9-21-43/h1-37H
InChIKeyHDKYINNFYNEQLQ-UHFFFAOYSA-N
XLogP16.53
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.02
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223362) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6cc8c(cc6n7-c6ccccc6)oc6ccccc68)ccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is HDKYINNFYNEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O2/c1-4-15-38(16-5-1)61-64-62(39-17-6-2-7-18-39)66-63(65-61)42-19-14-22-44(31-42)68-54-33-41(27-29-45(54)49-34-51-46-23-10-12-25-57(46)69-59(51)36-55(49)68)40-28-30-53-48(32-40)50-35-52-47-24-11-13-26-58(47)70-60(52)37-56(50)67(53)43-20-8-3-9-21-43/h1-37H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 896.02 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).