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

C63H39N5O — CID 129292095

IUPAC2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc9c%10ccccc%10n(-c%10ccccc%10)c9cc7n8-c7ccccc7)cc6c45)c3)n2)cc1
InChIInChI=1S/C63H39N5O/c1-5-17-40(18-6-1)61-64-62(41-19-7-2-8-20-41)66-63(65-61)45-22-15-21-44(35-45)48-28-16-30-59-60(48)53-37-43(32-34-58(53)69-59)42-31-33-55-50(36-42)52-38-51-49-27-13-14-29-54(49)67(46-23-9-3-10-24-46)56(51)39-57(52)68(55)47-25-11-4-12-26-47/h1-39H
InChIKeyKSEAPVUOPXAEIS-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

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

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole (PubChem CID 129292095) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole
PubChem CID129292095
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc9c%10ccccc%10n(-c%10ccccc%10)c9cc7n8-c7ccccc7)cc6c45)c3)n2)cc1
InChIInChI=1S/C63H39N5O/c1-5-17-40(18-6-1)61-64-62(41-19-7-2-8-20-41)66-63(65-61)45-22-15-21-44(35-45)48-28-16-30-59-60(48)53-37-43(32-34-58(53)69-59)42-31-33-55-50(36-42)52-38-51-49-27-13-14-29-54(49)67(46-23-9-3-10-24-46)56(51)39-57(52)68(55)47-25-11-4-12-26-47/h1-39H
InChIKeyKSEAPVUOPXAEIS-UHFFFAOYSA-N
XLogP16.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole (CID 129292095) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc9c%10ccccc%10n(-c%10ccccc%10)c9cc7n8-c7ccccc7)cc6c45)c3)n2)cc1.
What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole?
The InChIKey is KSEAPVUOPXAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-5-17-40(18-6-1)61-64-62(41-19-7-2-8-20-41)66-63(65-61)45-22-15-21-44(35-45)48-28-16-30-59-60(48)53-37-43(32-34-58(53)69-59)42-31-33-55-50(36-42)52-38-51-49-27-13-14-29-54(49)67(46-23-9-3-10-24-46)56(51)39-57(52)68(55)47-25-11-4-12-26-47/h1-39H.
What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole?
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-5,7-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 129292095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).