9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole

C51H34N4O — CID 166668278

IUPAC9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc45)cc3)=N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-13-33(14-5-1)38-27-29-41-40-19-10-11-21-44(40)55(46(41)31-38)45-22-12-20-43-42-30-28-39(32-47(42)56-48(43)45)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-32,49H,(H,52,53,54)
InChIKeyWAUDDNIQARGDJF-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.51
Rot. Bonds6

About 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole

9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole (PubChem CID 166668278) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
PubChem CID166668278
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc45)cc3)=N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-13-33(14-5-1)38-27-29-41-40-19-10-11-21-44(40)55(46(41)31-38)45-22-12-20-43-42-30-28-39(32-47(42)56-48(43)45)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-32,49H,(H,52,53,54)
InChIKeyWAUDDNIQARGDJF-UHFFFAOYSA-N
XLogP12.51
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699320
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
CID 146665133

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole?
The IUPAC name of 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole (CID 166668278) is 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc45)cc3)=N2)cc1.
What is the InChIKey of 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole?
The InChIKey is WAUDDNIQARGDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-13-33(14-5-1)38-27-29-41-40-19-10-11-21-44(40)55(46(41)31-38)45-22-12-20-43-42-30-28-39(32-47(42)56-48(43)45)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h1-32,49H,(H,52,53,54).
What are the key properties of 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole?
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole has a molecular weight of 718.86 g/mol, XLogP of 12.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole is sourced from PubChem (CID 166668278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).