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

C57H35N5O — CID 174273028

IUPAC4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-3-18-36(19-4-1)55-58-56(60-57(59-55)44-28-17-35-51-54(44)43-25-10-14-34-50(43)63-51)42-24-9-13-31-47(42)62-46-30-12-8-23-41(46)53-39(27-16-33-49(53)62)38-26-15-32-48-52(38)40-22-7-11-29-45(40)61(48)37-20-5-2-6-21-37/h1-35H
InChIKeyUCPXIEIOMOGPRL-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

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

4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174273028) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID174273028
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-3-18-36(19-4-1)55-58-56(60-57(59-55)44-28-17-35-51-54(44)43-25-10-14-34-50(43)63-51)42-24-9-13-31-47(42)62-46-30-12-8-23-41(46)53-39(27-16-33-49(53)62)38-26-15-32-48-52(38)40-22-7-11-29-45(40)61(48)37-20-5-2-6-21-37/h1-35H
InChIKeyUCPXIEIOMOGPRL-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

4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174273466
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
5-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634502
9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 176634742
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341
5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348
4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534380

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174273028) is 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is UCPXIEIOMOGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-18-36(19-4-1)55-58-56(60-57(59-55)44-28-17-35-51-54(44)43-25-10-14-34-50(43)63-51)42-24-9-13-31-47(42)62-46-30-12-8-23-41(46)53-39(27-16-33-49(53)62)38-26-15-32-48-52(38)40-22-7-11-29-45(40)61(48)37-20-5-2-6-21-37/h1-35H.
What are the key properties of 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole 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 4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174273028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).