4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

C45H27N5O — CID 163508167

IUPAC4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-3-14-28(15-4-1)43-46-44(48-45(47-43)50-38-24-11-7-18-30(38)31-19-8-12-25-39(31)50)34-22-13-21-33-36-26-40-35(27-41(36)51-42(33)34)32-20-9-10-23-37(32)49(40)29-16-5-2-6-17-29/h1-27H
InChIKeyNXOYJSBZDAQSHW-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.30
Rot. Bonds4

About 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163508167) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163508167
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-3-14-28(15-4-1)43-46-44(48-45(47-43)50-38-24-11-7-18-30(38)31-19-8-12-25-39(31)50)34-22-13-21-33-36-26-40-35(27-41(36)51-42(33)34)32-20-9-10-23-37(32)49(40)29-16-5-2-6-17-29/h1-27H
InChIKeyNXOYJSBZDAQSHW-UHFFFAOYSA-N
XLogP11.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163452922
11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163883383
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
11-[4-(3-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163678830
4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163421950
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
4-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153459837
4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;7-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163529278
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950342
7-(3-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950340

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163508167) is 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NXOYJSBZDAQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-3-14-28(15-4-1)43-46-44(48-45(47-43)50-38-24-11-7-18-30(38)31-19-8-12-25-39(31)50)34-22-13-21-33-36-26-40-35(27-41(36)51-42(33)34)32-20-9-10-23-37(32)49(40)29-16-5-2-6-17-29/h1-27H.
What are the key properties of 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 653.75 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163508167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).