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

C57H35N5O — CID 139303631

IUPAC9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)nc(-n3c4ccccc4c4cccc(-c5ccc6oc7ccccc7c6c5)c43)n2)cc1
InChIInChI=1S/C57H35N5O/c1-3-16-36(17-4-1)46-35-39(30-32-51(46)61-48-26-11-7-20-41(48)42-21-8-12-27-49(42)61)56-58-55(37-18-5-2-6-19-37)59-57(60-56)62-50-28-13-9-22-43(50)45-25-15-24-40(54(45)62)38-31-33-53-47(34-38)44-23-10-14-29-52(44)63-53/h1-35H
InChIKeyUOGMAXVADLKOLV-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

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

9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole (PubChem CID 139303631) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
PubChem CID139303631
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)nc(-n3c4ccccc4c4cccc(-c5ccc6oc7ccccc7c6c5)c43)n2)cc1
InChIInChI=1S/C57H35N5O/c1-3-16-36(17-4-1)46-35-39(30-32-51(46)61-48-26-11-7-20-41(48)42-21-8-12-27-49(42)61)56-58-55(37-18-5-2-6-19-37)59-57(60-56)62-50-28-13-9-22-43(50)45-25-15-24-40(54(45)62)38-31-33-53-47(34-38)44-23-10-14-29-52(44)63-53/h1-35H
InChIKeyUOGMAXVADLKOLV-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

12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165585
9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303494
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 139303243
9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
CID 146414244
9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303605
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270
5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
CID 155474665
10-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121386100

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole?
The IUPAC name of 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole (CID 139303631) is 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)nc(-n3c4ccccc4c4cccc(-c5ccc6oc7ccccc7c6c5)c43)n2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole?
The InChIKey is UOGMAXVADLKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-16-36(17-4-1)46-35-39(30-32-51(46)61-48-26-11-7-20-41(48)42-21-8-12-27-49(42)61)56-58-55(37-18-5-2-6-19-37)59-57(60-56)62-50-28-13-9-22-43(50)45-25-15-24-40(54(45)62)38-31-33-53-47(34-38)44-23-10-14-29-52(44)63-53/h1-35H.
What are the key properties of 9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole?
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole 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-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 139303631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).