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

C63H39N5O — CID 168807821

IUPAC1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-c7nc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccccc8-c8ccccc8)n7)ccc65)c43)c2)cc1
InChIInChI=1S/C63H39N5O/c1-3-17-40(18-4-1)42-21-15-22-45(37-42)67-54-29-12-9-24-47(54)50-28-16-31-57(60(50)67)68-55-30-13-10-25-48(55)52-38-43(33-35-56(52)68)61-64-62(44-34-36-59-53(39-44)49-26-11-14-32-58(49)69-59)66-63(65-61)51-27-8-7-23-46(51)41-19-5-2-6-20-41/h1-39H
InChIKeyXOFDWIODOJDPJH-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

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

1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 168807821) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
PubChem CID168807821
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-c7nc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccccc8-c8ccccc8)n7)ccc65)c43)c2)cc1
InChIInChI=1S/C63H39N5O/c1-3-17-40(18-4-1)42-21-15-22-45(37-42)67-54-29-12-9-24-47(54)50-28-16-31-57(60(50)67)68-55-30-13-10-25-48(55)52-38-43(33-35-56(52)68)61-64-62(44-34-36-59-53(39-44)49-26-11-14-32-58(49)69-59)66-63(65-61)51-27-8-7-23-46(51)41-19-5-2-6-20-41/h1-39H
InChIKeyXOFDWIODOJDPJH-UHFFFAOYSA-N
XLogP16.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-phenanthren-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807754
3-[4-dibenzofuran-2-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280120
6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201179
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
3-dibenzofuran-2-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164970809
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201210
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807728
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 171591767

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (CID 168807821) is 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cc(-c7nc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccccc8-c8ccccc8)n7)ccc65)c43)c2)cc1.
What is the InChIKey of 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is XOFDWIODOJDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-3-17-40(18-4-1)42-21-15-22-45(37-42)67-54-29-12-9-24-47(54)50-28-16-31-57(60(50)67)68-55-30-13-10-25-48(55)52-38-43(33-35-56(52)68)61-64-62(44-34-36-59-53(39-44)49-26-11-14-32-58(49)69-59)66-63(65-61)51-27-8-7-23-46(51)41-19-5-2-6-20-41/h1-39H.
What are the key properties of 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 168807821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).