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

C59H34N4O — CID 166700520

IUPAC5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C59H34N4O/c1-2-14-38-32-54-50(31-37(38)13-1)48-17-7-9-19-53(48)63(54)43-33-51-49-18-8-10-20-55(49)64-56(51)52(34-43)59-61-57(41-25-27-46-39(29-41)23-21-35-11-3-5-15-44(35)46)60-58(62-59)42-26-28-47-40(30-42)24-22-36-12-4-6-16-45(36)47/h1-34H
InChIKeyZPDSDNJRLNFZAS-UHFFFAOYSA-N
MW814.95 g/mol
LogP15.64
Rot. Bonds4

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

5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 166700520) has the molecular formula C59H34N4O and a molecular weight of 814.95 g/mol. Its IUPAC name is 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID166700520
Molecular FormulaC59H34N4O
Molecular Weight814.95 g/mol
Exact Mass814.27
IUPAC Name5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C59H34N4O/c1-2-14-38-32-54-50(31-37(38)13-1)48-17-7-9-19-53(48)63(54)43-33-51-49-18-8-10-20-55(49)64-56(51)52(34-43)59-61-57(41-25-27-46-39(29-41)23-21-35-11-3-5-15-44(35)46)60-58(62-59)42-26-28-47-40(30-42)24-22-36-12-4-6-16-45(36)47/h1-34H
InChIKeyZPDSDNJRLNFZAS-UHFFFAOYSA-N
XLogP15.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.95
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 167347572
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347924
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585
5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167424243
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole
CID 168809537
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-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 163846224
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 166700520) is 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)c2oc3ccccc3c2c1.
What is the InChIKey of 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is ZPDSDNJRLNFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4O/c1-2-14-38-32-54-50(31-37(38)13-1)48-17-7-9-19-53(48)63(54)43-33-51-49-18-8-10-20-55(49)64-56(51)52(34-43)59-61-57(41-25-27-46-39(29-41)23-21-35-11-3-5-15-44(35)46)60-58(62-59)42-26-28-47-40(30-42)24-22-36-12-4-6-16-45(36)47/h1-34H.
What are the key properties of 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 814.95 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166700520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).