11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C63H39N5O — CID 164758308

IUPAC11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4oc5cccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)c%10)c9c87)n6)c5c34)c2)cc1
InChIInChI=1S/C63H39N5O/c1-4-18-40(19-5-1)43-24-14-26-45(38-43)47-30-16-34-55-57(47)58-52(31-17-35-56(58)69-55)62-64-61(42-22-8-3-9-23-42)65-63(66-62)68-54-33-13-11-29-49(54)51-37-36-50-48-28-10-12-32-53(48)67(59(50)60(51)68)46-27-15-25-44(39-46)41-20-6-2-7-21-41/h1-39H
InChIKeyXKUJYKKBSPYKKD-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

About 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 164758308) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID164758308
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4oc5cccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)c%10)c9c87)n6)c5c34)c2)cc1
InChIInChI=1S/C63H39N5O/c1-4-18-40(19-5-1)43-24-14-26-45(38-43)47-30-16-34-55-57(47)58-52(31-17-35-56(58)69-55)62-64-61(42-22-8-3-9-23-42)65-63(66-62)68-54-33-13-11-29-49(54)51-37-36-50-48-28-10-12-32-53(48)67(59(50)60(51)68)46-27-15-25-44(39-46)41-20-6-2-7-21-41/h1-39H
InChIKeyXKUJYKKBSPYKKD-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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Related Compounds

11-(3-phenylphenyl)-12-[4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758260
1-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;1-phenyl-12-(3-phenylphenyl)-11-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;4-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;4-phenyl-12-(3-phenylphenyl)-11-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165100259
11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758341
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163681880
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037526
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
11-(3-phenylphenyl)-12-[4-(3-phenylphenyl)-6-[8-[3-[3-[12-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]triphenylen-2-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170316172
12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167203855

Frequently Asked Questions

What is the IUPAC name of 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 164758308) is 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc4oc5cccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)c%10)c9c87)n6)c5c34)c2)cc1.
What is the InChIKey of 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is XKUJYKKBSPYKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-4-18-40(19-5-1)43-24-14-26-45(38-43)47-30-16-34-55-57(47)58-52(31-17-35-56(58)69-55)62-64-61(42-22-8-3-9-23-42)65-63(66-62)68-54-33-13-11-29-49(54)51-37-36-50-48-28-10-12-32-53(48)67(59(50)60(51)68)46-27-15-25-44(39-46)41-20-6-2-7-21-41/h1-39H.
What are the key properties of 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]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 11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164758308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).