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

C75H48N6 — CID 58556490

IUPAC9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5c5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc54)n3)cc2)cc1
InChIInChI=1S/C75H48N6/c1-5-17-49(18-6-1)53-29-33-55(34-30-53)73-76-74(56-35-31-54(32-36-56)50-19-7-2-8-20-50)78-75(77-73)81-71-43-39-59(79-67-27-15-13-25-61(67)63-45-57(37-41-69(63)79)51-21-9-3-10-22-51)47-65(71)66-48-60(40-44-72(66)81)80-68-28-16-14-26-62(68)64-46-58(38-42-70(64)80)52-23-11-4-12-24-52/h1-48H
InChIKeyYHZNHSUJXBHXFZ-UHFFFAOYSA-N
MW1033.25 g/mol
LogP19.16
Rot. Bonds9

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

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole (PubChem CID 58556490) has the molecular formula C75H48N6 and a molecular weight of 1033.25 g/mol. Its IUPAC name is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
PubChem CID58556490
Molecular FormulaC75H48N6
Molecular Weight1033.25 g/mol
Exact Mass1032.39
IUPAC Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5c5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc54)n3)cc2)cc1
InChIInChI=1S/C75H48N6/c1-5-17-49(18-6-1)53-29-33-55(34-30-53)73-76-74(56-35-31-54(32-36-56)50-19-7-2-8-20-50)78-75(77-73)81-71-43-39-59(79-67-27-15-13-25-61(67)63-45-57(37-41-69(63)79)51-21-9-3-10-22-51)47-65(71)66-48-60(40-44-72(66)81)80-68-28-16-14-26-62(68)64-46-58(38-42-70(64)80)52-23-11-4-12-24-52/h1-48H
InChIKeyYHZNHSUJXBHXFZ-UHFFFAOYSA-N
XLogP19.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.25
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158716979
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
CID 144659402
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88866667
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole?
The IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole (CID 58556490) is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5c5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc54)n3)cc2)cc1.
What is the InChIKey of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole?
The InChIKey is YHZNHSUJXBHXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N6/c1-5-17-49(18-6-1)53-29-33-55(34-30-53)73-76-74(56-35-31-54(32-36-56)50-19-7-2-8-20-50)78-75(77-73)81-71-43-39-59(79-67-27-15-13-25-61(67)63-45-57(37-41-69(63)79)51-21-9-3-10-22-51)47-65(71)66-48-60(40-44-72(66)81)80-68-28-16-14-26-62(68)64-46-58(38-42-70(64)80)52-23-11-4-12-24-52/h1-48H.
What are the key properties of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole?
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole has a molecular weight of 1033.25 g/mol, XLogP of 19.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole is sourced from PubChem (CID 58556490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).