2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole

C66H43N7 — CID 88878761

IUPAC2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)cc2)cc1
InChIInChI=1S/C66H43N7/c1-6-18-44(19-7-1)45-32-36-56(37-33-45)73-59-42-52(50-28-16-30-54(40-50)65-69-61(46-20-8-2-9-21-46)67-62(70-65)47-22-10-3-11-23-47)34-38-57(59)58-39-35-53(43-60(58)73)51-29-17-31-55(41-51)66-71-63(48-24-12-4-13-25-48)68-64(72-66)49-26-14-5-15-27-49/h1-43H
InChIKeyLWIJLELAWCTFRP-UHFFFAOYSA-N
MW934.12 g/mol
LogP16.16
Rot. Bonds10

About 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole

2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole (PubChem CID 88878761) has the molecular formula C66H43N7 and a molecular weight of 934.12 g/mol. Its IUPAC name is 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
PubChem CID88878761
Molecular FormulaC66H43N7
Molecular Weight934.12 g/mol
Exact Mass933.36
IUPAC Name2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)cc2)cc1
InChIInChI=1S/C66H43N7/c1-6-18-44(19-7-1)45-32-36-56(37-33-45)73-59-42-52(50-28-16-30-54(40-50)65-69-61(46-20-8-2-9-21-46)67-62(70-65)47-22-10-3-11-23-47)34-38-57(59)58-39-35-53(43-60(58)73)51-29-17-31-55(41-51)66-71-63(48-24-12-4-13-25-48)68-64(72-66)49-26-14-5-15-27-49/h1-43H
InChIKeyLWIJLELAWCTFRP-UHFFFAOYSA-N
XLogP16.16
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.12
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087454
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087301
2-phenyl-9-(3-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087458
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
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-[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

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole (CID 88878761) is 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)cc2)cc1.
What is the InChIKey of 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The InChIKey is LWIJLELAWCTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N7/c1-6-18-44(19-7-1)45-32-36-56(37-33-45)73-59-42-52(50-28-16-30-54(40-50)65-69-61(46-20-8-2-9-21-46)67-62(70-65)47-22-10-3-11-23-47)34-38-57(59)58-39-35-53(43-60(58)73)51-29-17-31-55(41-51)66-71-63(48-24-12-4-13-25-48)68-64(72-66)49-26-14-5-15-27-49/h1-43H.
What are the key properties of 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole?
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole has a molecular weight of 934.12 g/mol, XLogP of 16.16, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 88878761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).