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

C69H43N5O — CID 164758260

IUPAC11-(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
SMILESc1ccc(-c2cccc(-c3ccc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11cccc(-c%12ccccc%12)c%11)c%10c98)n7)c6c45)cc3)c2)cc1
InChIInChI=1S/C69H43N5O/c1-4-18-44(19-5-1)49-24-14-25-50(42-49)46-36-38-47(39-37-46)53-30-16-34-61-63(53)64-58(31-17-35-62(64)75-61)68-70-67(48-22-8-3-9-23-48)71-69(72-68)74-60-33-13-11-29-55(60)57-41-40-56-54-28-10-12-32-59(54)73(65(56)66(57)74)52-27-15-26-51(43-52)45-20-6-2-7-21-45/h1-43H
InChIKeyGCDUGLTYWMGDCE-UHFFFAOYSA-N
MW958.14 g/mol
LogP17.97
Rot. Bonds8

About 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

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 (PubChem CID 164758260) has the molecular formula C69H43N5O and a molecular weight of 958.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-(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
PubChem CID164758260
Molecular FormulaC69H43N5O
Molecular Weight958.14 g/mol
Exact Mass957.35
IUPAC Name11-(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
SMILESc1ccc(-c2cccc(-c3ccc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11cccc(-c%12ccccc%12)c%11)c%10c98)n7)c6c45)cc3)c2)cc1
InChIInChI=1S/C69H43N5O/c1-4-18-44(19-5-1)49-24-14-25-50(42-49)46-36-38-47(39-37-46)53-30-16-34-61-63(53)64-58(31-17-35-62(64)75-61)68-70-67(48-22-8-3-9-23-48)71-69(72-68)74-60-33-13-11-29-55(60)57-41-40-56-54-28-10-12-32-59(54)73(65(56)66(57)74)52-27-15-26-51(43-52)45-20-6-2-7-21-45/h1-43H
InChIKeyGCDUGLTYWMGDCE-UHFFFAOYSA-N
XLogP17.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.14
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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
3-[4-[11-(3,5-diphenylphenyl)indolo[2,3-a]carbazol-12-yl]-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]benzonitrile;12-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole;5-[4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 164992018
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
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-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3ccc(-c4cccc5oc6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11cccc(-c%12ccccc%12)c%11)c%10c98)n7)c6c45)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is GCDUGLTYWMGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5O/c1-4-18-44(19-5-1)49-24-14-25-50(42-49)46-36-38-47(39-37-46)53-30-16-34-61-63(53)64-58(31-17-35-62(64)75-61)68-70-67(48-22-8-3-9-23-48)71-69(72-68)74-60-33-13-11-29-55(60)57-41-40-56-54-28-10-12-32-59(54)73(65(56)66(57)74)52-27-15-26-51(43-52)45-20-6-2-7-21-45/h1-43H.
What are the key properties of 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?
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 has a molecular weight of 958.14 g/mol, XLogP of 17.97, 8 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-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164758260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).