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

C57H35N5O — CID 170228291

IUPAC9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-2-17-36(18-3-1)37-19-16-20-38(33-37)55-58-56(60-57(59-55)62-51-30-13-8-24-43(51)44-25-9-14-31-52(44)62)46-27-5-4-21-40(46)47-34-39(35-48-45-26-10-15-32-53(45)63-54(47)48)61-49-28-11-6-22-41(49)42-23-7-12-29-50(42)61/h1-35H
InChIKeyJJRQYNSXSKDOGK-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

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

9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 170228291) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID170228291
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-2-17-36(18-3-1)37-19-16-20-38(33-37)55-58-56(60-57(59-55)62-51-30-13-8-24-43(51)44-25-9-14-31-52(44)62)46-27-5-4-21-40(46)47-34-39(35-48-45-26-10-15-32-53(45)63-54(47)48)61-49-28-11-6-22-41(49)42-23-7-12-29-50(42)61/h1-35H
InChIKeyJJRQYNSXSKDOGK-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228295
9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228264
7-(4-phenyldibenzofuran-2-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 168809556
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 166495968
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 118922865
9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146658603
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylphenyl]-2-dibenzofuran-4-ylcarbazole
CID 164962407
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 170228291) is 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is JJRQYNSXSKDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-2-17-36(18-3-1)37-19-16-20-38(33-37)55-58-56(60-57(59-55)62-51-30-13-8-24-43(51)44-25-9-14-31-52(44)62)46-27-5-4-21-40(46)47-34-39(35-48-45-26-10-15-32-53(45)63-54(47)48)61-49-28-11-6-22-41(49)42-23-7-12-29-50(42)61/h1-35H.
What are the key properties of 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170228291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).