5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole

C55H32N4O — CID 167043329

IUPAC5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc2c1oc1ccccc12
InChIInChI=1S/C55H32N4O/c1-2-16-35-31-49-45(28-34(35)15-1)42-23-9-11-26-48(42)59(49)50-32-37(30-46-43-24-10-12-27-51(43)60-52(46)50)53-56-54(44-25-13-18-33-14-3-5-19-38(33)44)58-55(57-53)47-29-36-17-4-6-20-39(36)40-21-7-8-22-41(40)47/h1-32H
InChIKeyZXFYIYXNEUJONN-UHFFFAOYSA-N
MW764.89 g/mol
LogP14.48
Rot. Bonds4

About 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole

5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 167043329) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID167043329
Molecular FormulaC55H32N4O
Molecular Weight764.89 g/mol
Exact Mass764.26
IUPAC Name5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc2c1oc1ccccc12
InChIInChI=1S/C55H32N4O/c1-2-16-35-31-49-45(28-34(35)15-1)42-23-9-11-26-48(42)59(49)50-32-37(30-46-43-24-10-12-27-51(43)60-52(46)50)53-56-54(44-25-13-18-33-14-3-5-19-38(33)44)58-55(57-53)47-29-36-17-4-6-20-39(36)40-21-7-8-22-41(40)47/h1-32H
InChIKeyZXFYIYXNEUJONN-UHFFFAOYSA-N
XLogP14.48
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 514.48
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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166495995
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166700023
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
12-[2-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 166699655
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006
5-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699291
12-[2-[4,6-di(phenanthren-2-yl)-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 166700819
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155037672
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700089
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole (CID 167043329) is 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc2c1oc1ccccc12.
What is the InChIKey of 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is ZXFYIYXNEUJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c1-2-16-35-31-49-45(28-34(35)15-1)42-23-9-11-26-48(42)59(49)50-32-37(30-46-43-24-10-12-27-51(43)60-52(46)50)53-56-54(44-25-13-18-33-14-3-5-19-38(33)44)58-55(57-53)47-29-36-17-4-6-20-39(36)40-21-7-8-22-41(40)47/h1-32H.
What are the key properties of 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole?
5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 764.89 g/mol, XLogP of 14.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 167043329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).