9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole

C69H46N4 — CID 146281289

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C69H46N4/c1-7-21-47(22-8-1)49-37-41-53(42-38-49)62-45-57(69-71-67(55-29-15-5-16-30-55)70-68(72-69)56-31-17-6-18-32-56)46-63(54-43-39-50(40-44-54)48-23-9-2-10-24-48)66(62)73-64-58(51-25-11-3-12-26-51)33-19-35-60(64)61-36-20-34-59(65(61)73)52-27-13-4-14-28-52/h1-46H
InChIKeyWSDMQLFSPPESCE-UHFFFAOYSA-N
MW931.16 g/mol
LogP17.97
Rot. Bonds10

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole (PubChem CID 146281289) has the molecular formula C69H46N4 and a molecular weight of 931.16 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
PubChem CID146281289
Molecular FormulaC69H46N4
Molecular Weight931.16 g/mol
Exact Mass930.37
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C69H46N4/c1-7-21-47(22-8-1)49-37-41-53(42-38-49)62-45-57(69-71-67(55-29-15-5-16-30-55)70-68(72-69)56-31-17-6-18-32-56)46-63(54-43-39-50(40-44-54)48-23-9-2-10-24-48)66(62)73-64-58(51-25-11-3-12-26-51)33-19-35-60(64)61-36-20-34-59(65(61)73)52-27-13-4-14-28-52/h1-46H
InChIKeyWSDMQLFSPPESCE-UHFFFAOYSA-N
XLogP17.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.16
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 146281025
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 169056002
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole
CID 153301126
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 153304404
1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 139311961
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 169056298
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
12-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280424
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280664
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 146414212

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole (CID 146281289) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
The InChIKey is WSDMQLFSPPESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N4/c1-7-21-47(22-8-1)49-37-41-53(42-38-49)62-45-57(69-71-67(55-29-15-5-16-30-55)70-68(72-69)56-31-17-6-18-32-56)46-63(54-43-39-50(40-44-54)48-23-9-2-10-24-48)66(62)73-64-58(51-25-11-3-12-26-51)33-19-35-60(64)61-36-20-34-59(65(61)73)52-27-13-4-14-28-52/h1-46H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole has a molecular weight of 931.16 g/mol, XLogP of 17.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole is sourced from PubChem (CID 146281289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).