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

C57H38N4 — CID 170539148

IUPAC9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C57H38N4/c1-5-16-39(17-6-1)40-28-30-41(31-29-40)45-24-15-25-46(36-45)47-32-35-51-50-26-13-14-27-52(50)61(54(51)37-47)53-38-48(33-34-49(53)42-18-7-2-8-19-42)57-59-55(43-20-9-3-10-21-43)58-56(60-57)44-22-11-4-12-23-44/h1-38H
InChIKeyOSTVADMADZVUMQ-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.64
Rot. Bonds8

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

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole (PubChem CID 170539148) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
PubChem CID170539148
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C57H38N4/c1-5-16-39(17-6-1)40-28-30-41(31-29-40)45-24-15-25-46(36-45)47-32-35-51-50-26-13-14-27-52(50)61(54(51)37-47)53-38-48(33-34-49(53)42-18-7-2-8-19-42)57-59-55(43-20-9-3-10-21-43)58-56(60-57)44-22-11-4-12-23-44/h1-38H
InChIKeyOSTVADMADZVUMQ-UHFFFAOYSA-N
XLogP14.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-(3-phenylphenyl)-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659178
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
9-[5-phenyl-2-[4-(5-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658746
9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659249
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole (CID 170539148) is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-c6ccccc6)c5c4)c3)cc2)cc1.
What is the InChIKey of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is OSTVADMADZVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-5-16-39(17-6-1)40-28-30-41(31-29-40)45-24-15-25-46(36-45)47-32-35-51-50-26-13-14-27-52(50)61(54(51)37-47)53-38-48(33-34-49(53)42-18-7-2-8-19-42)57-59-55(43-20-9-3-10-21-43)58-56(60-57)44-22-11-4-12-23-44/h1-38H.
What are the key properties of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole?
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 778.96 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 170539148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).