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

C51H34N4O — CID 167200797

IUPAC9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6c(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cccc6c45)cc3)=N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-14-33(15-5-1)38-30-31-44-42(32-38)40-20-10-11-23-43(40)55(44)45-24-12-22-41-47-39(21-13-25-46(47)56-48(41)45)34-26-28-37(29-27-34)51-53-49(35-16-6-2-7-17-35)52-50(54-51)36-18-8-3-9-19-36/h1-32,49H,(H,52,53,54)
InChIKeyKPWPFUKNEOUORX-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.51
Rot. Bonds6

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

9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole (PubChem CID 167200797) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
PubChem CID167200797
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6c(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cccc6c45)cc3)=N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-14-33(15-5-1)38-30-31-44-42(32-38)40-20-10-11-23-43(40)55(44)45-24-12-22-41-47-39(21-13-25-46(47)56-48(41)45)34-26-28-37(29-27-34)51-53-49(35-16-6-2-7-17-35)52-50(54-51)36-18-8-3-9-19-36/h1-32,49H,(H,52,53,54)
InChIKeyKPWPFUKNEOUORX-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-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
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-[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
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
9-[9-[1-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 166744433
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole?
The IUPAC name of 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole (CID 167200797) is 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6c(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cccc6c45)cc3)=N2)cc1.
What is the InChIKey of 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole?
The InChIKey is KPWPFUKNEOUORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-14-33(15-5-1)38-30-31-44-42(32-38)40-20-10-11-23-43(40)55(44)45-24-12-22-41-47-39(21-13-25-46(47)56-48(41)45)34-26-28-37(29-27-34)51-53-49(35-16-6-2-7-17-35)52-50(54-51)36-18-8-3-9-19-36/h1-32,49H,(H,52,53,54).
What are the key properties of 9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole?
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-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-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole is sourced from PubChem (CID 167200797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).