5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole

C55H36N4O — CID 167042967

IUPAC5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccc(-c5ccccc5)cc4)NC(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)=N3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)53-56-54(40-29-25-38(26-30-40)36-15-5-2-6-16-36)58-55(57-53)43-33-49(52-45-20-10-12-22-50(45)60-51(52)34-43)59-47-21-11-9-19-44(47)46-31-41-17-7-8-18-42(41)32-48(46)59/h1-34,53H,(H,56,57,58)
InChIKeyNWGBCBXIPQAPJV-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.67
Rot. Bonds6

About 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole

5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 167042967) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID167042967
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccc(-c5ccccc5)cc4)NC(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)=N3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)53-56-54(40-29-25-38(26-30-40)36-15-5-2-6-16-36)58-55(57-53)43-33-49(52-45-20-10-12-22-50(45)60-51(52)34-43)59-47-21-11-9-19-44(47)46-31-41-17-7-8-18-42(41)32-48(46)59/h1-34,53H,(H,56,57,58)
InChIKeyNWGBCBXIPQAPJV-UHFFFAOYSA-N
XLogP13.67
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699128
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
5-[3-(6-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 155037880
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699587
5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 146395931
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167043225
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
5-[2-[2-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699531
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166700234

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 167042967) is 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(C3=NC(c4ccc(-c5ccccc5)cc4)NC(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)=N3)cc2)cc1.
What is the InChIKey of 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is NWGBCBXIPQAPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)53-56-54(40-29-25-38(26-30-40)36-15-5-2-6-16-36)58-55(57-53)43-33-49(52-45-20-10-12-22-50(45)60-51(52)34-43)59-47-21-11-9-19-44(47)46-31-41-17-7-8-18-42(41)32-48(46)59/h1-34,53H,(H,56,57,58).
What are the key properties of 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 768.92 g/mol, XLogP of 13.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167042967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).