9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole

C69H45N5 — CID 139303922

IUPAC9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-n7c8ccccc8c8ccccc87)c6)c5)n4)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C69H45N5/c1-4-20-46(21-5-1)53-40-55(44-57(42-53)73-63-34-14-10-30-59(63)60-31-11-15-35-64(60)73)49-26-18-28-51(38-49)68-70-67(48-24-8-3-9-25-48)71-69(72-68)52-29-19-27-50(39-52)56-41-54(47-22-6-2-7-23-47)43-58(45-56)74-65-36-16-12-32-61(65)62-33-13-17-37-66(62)74/h1-45H
InChIKeyRFHIBQUUQYAXNU-UHFFFAOYSA-N
MW944.15 g/mol
LogP17.73
Rot. Bonds9

About 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole

9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole (PubChem CID 139303922) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
PubChem CID139303922
Molecular FormulaC69H45N5
Molecular Weight944.15 g/mol
Exact Mass943.37
IUPAC Name9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-n7c8ccccc8c8ccccc87)c6)c5)n4)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C69H45N5/c1-4-20-46(21-5-1)53-40-55(44-57(42-53)73-63-34-14-10-30-59(63)60-31-11-15-35-64(60)73)49-26-18-28-51(38-49)68-70-67(48-24-8-3-9-25-48)71-69(72-68)52-29-19-27-50(39-52)56-41-54(47-22-6-2-7-23-47)43-58(45-56)74-65-36-16-12-32-61(65)62-33-13-17-37-66(62)74/h1-45H
InChIKeyRFHIBQUUQYAXNU-UHFFFAOYSA-N
XLogP17.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-[3-[3-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943500
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole (CID 139303922) is 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-n7c8ccccc8c8ccccc87)c6)c5)n4)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole?
The InChIKey is RFHIBQUUQYAXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-4-20-46(21-5-1)53-40-55(44-57(42-53)73-63-34-14-10-30-59(63)60-31-11-15-35-64(60)73)49-26-18-28-51(38-49)68-70-67(48-24-8-3-9-25-48)71-69(72-68)52-29-19-27-50(39-52)56-41-54(47-22-6-2-7-23-47)43-58(45-56)74-65-36-16-12-32-61(65)62-33-13-17-37-66(62)74/h1-45H.
What are the key properties of 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole?
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 139303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).