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

C63H37N5O2 — CID 134223401

IUPAC2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7oc8cc9c(cc8c7c6)c6ccccc6n9-c6ccccc6)cc5c5cc6c(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)68-54-29-27-40(32-47(54)49-35-51-46-24-11-13-26-57(46)69-59(51)37-56(49)68)41-28-30-58-50(33-41)52-34-48-45-23-10-12-25-53(45)67(43-20-8-3-9-21-43)55(48)36-60(52)70-58/h1-37H
InChIKeyRFRDHKHTAHPQAA-UHFFFAOYSA-N
MW896.02 g/mol
LogP16.53
Rot. Bonds6

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

2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223401) has the molecular formula C63H37N5O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID134223401
Molecular FormulaC63H37N5O2
Molecular Weight896.02 g/mol
Exact Mass895.29
IUPAC Name2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7oc8cc9c(cc8c7c6)c6ccccc6n9-c6ccccc6)cc5c5cc6c(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)68-54-29-27-40(32-47(54)49-35-51-46-24-11-13-26-57(46)69-59(51)37-56(49)68)41-28-30-58-50(33-41)52-34-48-45-23-10-12-25-53(45)67(43-20-8-3-9-21-43)55(48)36-60(52)70-58/h1-37H
InChIKeyRFRDHKHTAHPQAA-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 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

CID 129291104
CID 129291104
CID 129291269
CID 129291269
CID 163659390
CID 163659390
CID 163673362
CID 163673362
CID 129085125
CID 129085125
CID 129087671
CID 129087671
CID 129122977
CID 129122977
CID 129123770
CID 129123770
CID 129126276
CID 129126276
CID 129127331
CID 129127331
CID 129141836
CID 129141836
CID 129264600
CID 129264600

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 134223401) is 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7oc8cc9c(cc8c7c6)c6ccccc6n9-c6ccccc6)cc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1.
What is the InChIKey of 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RFRDHKHTAHPQAA-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)68-54-29-27-40(32-47(54)49-35-51-46-24-11-13-26-57(46)69-59(51)37-56(49)68)41-28-30-58-50(33-41)52-34-48-45-23-10-12-25-53(45)67(43-20-8-3-9-21-43)55(48)36-60(52)70-58/h1-37H.
What are the key properties of 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[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 2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).