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

C55H32N4O2 — CID 164715102

IUPAC5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H32N4O2/c1-2-13-33(14-3-1)34-25-27-35(28-26-34)53-56-54(41-20-12-24-49-50(41)39-18-7-10-22-47(39)60-49)58-55(57-53)42-29-30-45(52-51(42)40-19-8-11-23-48(40)61-52)59-44-21-9-6-17-38(44)43-31-36-15-4-5-16-37(36)32-46(43)59/h1-32H
InChIKeyFQHTUNHLNYLXBT-UHFFFAOYSA-N
MW780.89 g/mol
LogP14.59
Rot. Bonds5

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

5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 164715102) has the molecular formula C55H32N4O2 and a molecular weight of 780.89 g/mol. Its IUPAC name is 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID164715102
Molecular FormulaC55H32N4O2
Molecular Weight780.89 g/mol
Exact Mass780.25
IUPAC Name5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H32N4O2/c1-2-13-33(14-3-1)34-25-27-35(28-26-34)53-56-54(41-20-12-24-49-50(41)39-18-7-10-22-47(39)60-49)58-55(57-53)42-29-30-45(52-51(42)40-19-8-11-23-48(40)61-52)59-44-21-9-6-17-38(44)43-31-36-15-4-5-16-37(36)32-46(43)59/h1-32H
InChIKeyFQHTUNHLNYLXBT-UHFFFAOYSA-N
XLogP14.59
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714899
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 167032741
7-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 155158730
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[2-naphtho[1,2-b][1]benzofuran-6-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474553
12-[1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714640
12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-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 155042959
6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol
CID 174170243
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzofuran-6-ylphenyl]benzo[b]carbazole
CID 155474561
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166495841

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 164715102) is 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is FQHTUNHLNYLXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2/c1-2-13-33(14-3-1)34-25-27-35(28-26-34)53-56-54(41-20-12-24-49-50(41)39-18-7-10-22-47(39)60-49)58-55(57-53)42-29-30-45(52-51(42)40-19-8-11-23-48(40)61-52)59-44-21-9-6-17-38(44)43-31-36-15-4-5-16-37(36)32-46(43)59/h1-32H.
What are the key properties of 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 780.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 164715102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).