5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole

C51H31N5O — CID 168809412

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)c34)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-16-32(17-5-1)40-30-35(31-41-37-23-12-15-27-45(37)57-48(40)41)55-42-25-13-10-22-36(42)38-28-29-44-46(47(38)55)39-24-11-14-26-43(39)56(44)51-53-49(33-18-6-2-7-19-33)52-50(54-51)34-20-8-3-9-21-34/h1-31H
InChIKeyHJEIDEGYULAPDS-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole (PubChem CID 168809412) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
PubChem CID168809412
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)c34)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-16-32(17-5-1)40-30-35(31-41-37-23-12-15-27-45(37)57-48(40)41)55-42-25-13-10-22-36(42)38-28-29-44-46(47(38)55)39-24-11-14-26-43(39)56(44)51-53-49(33-18-6-2-7-19-33)52-50(54-51)34-20-8-3-9-21-34/h1-31H
InChIKeyHJEIDEGYULAPDS-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158564648
11-(4-naphthalen-2-yldibenzofuran-2-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168809436
5-phenyl-12-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169014966
9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937328
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 168809458
7-(4-phenyldibenzofuran-2-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 168809556
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 135166141
12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 171612107
12-phenyl-5-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169014994
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
12-phenyl-5-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 166511987

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole (CID 168809412) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)c34)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole?
The InChIKey is HJEIDEGYULAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-16-32(17-5-1)40-30-35(31-41-37-23-12-15-27-45(37)57-48(40)41)55-42-25-13-10-22-36(42)38-28-29-44-46(47(38)55)39-24-11-14-26-43(39)56(44)51-53-49(33-18-6-2-7-19-33)52-50(54-51)34-20-8-3-9-21-34/h1-31H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 168809412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).