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

C63H42N4O2 — CID 166744433

IUPAC9-[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
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc(-c5cccc6oc7c(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cccc7c56)c5oc6ccccc6c45)c3)N2)cc1
InChIInChI=1S/C63H42N4O2/c1-4-17-39(18-5-1)42-33-36-53-51(38-42)46-25-10-12-29-52(46)67(53)54-30-15-28-50-57-47(27-16-32-56(57)69-59(50)54)48-35-34-45(58-49-26-11-13-31-55(49)68-60(48)58)43-23-14-24-44(37-43)63-65-61(40-19-6-2-7-20-40)64-62(66-63)41-21-8-3-9-22-41/h1-38,61,63,65H,(H,64,66)
InChIKeyQYMYBAUICRUUSC-UHFFFAOYSA-N
MW887.06 g/mol
LogP15.92
Rot. Bonds7

About 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

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 (PubChem CID 166744433) has the molecular formula C63H42N4O2 and a molecular weight of 887.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID166744433
Molecular FormulaC63H42N4O2
Molecular Weight887.06 g/mol
Exact Mass886.33
IUPAC Name9-[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
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc(-c5cccc6oc7c(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cccc7c56)c5oc6ccccc6c45)c3)N2)cc1
InChIInChI=1S/C63H42N4O2/c1-4-17-39(18-5-1)42-33-36-53-51(38-42)46-25-10-12-29-52(46)67(53)54-30-15-28-50-57-47(27-16-32-56(57)69-59(50)54)48-35-34-45(58-49-26-11-13-31-55(49)68-60(48)58)43-23-14-24-44(37-43)63-65-61(40-19-6-2-7-20-40)64-62(66-63)41-21-8-3-9-22-41/h1-38,61,63,65H,(H,64,66)
InChIKeyQYMYBAUICRUUSC-UHFFFAOYSA-N
XLogP15.92
TPSA67.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.06
LogP ≤ 515.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4ccc(-c5cccc6oc7c(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cccc7c56)c5oc6ccccc6c45)c3)N2)cc1.
What is the InChIKey of 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?
The InChIKey is QYMYBAUICRUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O2/c1-4-17-39(18-5-1)42-33-36-53-51(38-42)46-25-10-12-29-52(46)67(53)54-30-15-28-50-57-47(27-16-32-56(57)69-59(50)54)48-35-34-45(58-49-26-11-13-31-55(49)68-60(48)58)43-23-14-24-44(37-43)63-65-61(40-19-6-2-7-20-40)64-62(66-63)41-21-8-3-9-22-41/h1-38,61,63,65H,(H,64,66).
What are the key properties of 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?
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 has a molecular weight of 887.06 g/mol, XLogP of 15.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166744433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).