9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole

C47H33N5 — CID 166968520

IUPAC9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C47H33N5/c1-29-20-23-36-37-24-21-30(2)27-43(37)52(42(36)26-29)41-25-22-33(34-17-11-18-38-35-16-9-10-19-40(35)48-44(34)38)28-39(41)47-50-45(31-12-5-3-6-13-31)49-46(51-47)32-14-7-4-8-15-32/h3-28,48H,1-2H3
InChIKeyYQAXAYNILNNANB-UHFFFAOYSA-N
MW667.82 g/mol
LogP11.89
Rot. Bonds5

About 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole

9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole (PubChem CID 166968520) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
PubChem CID166968520
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC Name9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C47H33N5/c1-29-20-23-36-37-24-21-30(2)27-43(37)52(42(36)26-29)41-25-22-33(34-17-11-18-38-35-16-9-10-19-40(35)48-44(34)38)28-39(41)47-50-45(31-12-5-3-6-13-31)49-46(51-47)32-14-7-4-8-15-32/h3-28,48H,1-2H3
InChIKeyYQAXAYNILNNANB-UHFFFAOYSA-N
XLogP11.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-di(carbazol-9-yl)-9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138599601
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 137414730
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole
CID 155628117
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole
CID 155232421
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 148758940
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 155233274
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137421193
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 142577027
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 137421310
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole?
The IUPAC name of 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole (CID 166968520) is 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole.
What is the SMILES notation for 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole?
The canonical SMILES for 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole?
The InChIKey is YQAXAYNILNNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-29-20-23-36-37-24-21-30(2)27-43(37)52(42(36)26-29)41-25-22-33(34-17-11-18-38-35-16-9-10-19-40(35)48-44(34)38)28-39(41)47-50-45(31-12-5-3-6-13-31)49-46(51-47)32-14-7-4-8-15-32/h3-28,48H,1-2H3.
What are the key properties of 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole?
9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole has a molecular weight of 667.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9H-carbazol-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole is sourced from PubChem (CID 166968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).