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

C55H32N4O — CID 155037672

IUPAC5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4ccccc34)n1)oc1ccccc12
InChIInChI=1S/C55H32N4O/c1-2-15-36-30-49-45(29-35(36)14-1)42-19-7-9-22-48(42)59(49)50-31-46-43-20-8-10-23-51(43)60-52(46)32-47(50)55-57-53(56-54(58-55)44-21-11-16-33-12-3-6-18-40(33)44)38-26-27-41-37(28-38)25-24-34-13-4-5-17-39(34)41/h1-32H
InChIKeySKQVEYNVJALTNZ-UHFFFAOYSA-N
MW764.89 g/mol
LogP14.48
Rot. Bonds4

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

5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 155037672) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID155037672
Molecular FormulaC55H32N4O
Molecular Weight764.89 g/mol
Exact Mass764.26
IUPAC Name5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4ccccc34)n1)oc1ccccc12
InChIInChI=1S/C55H32N4O/c1-2-15-36-30-49-45(29-35(36)14-1)42-19-7-9-22-48(42)59(49)50-31-46-43-20-8-10-23-51(43)60-52(46)32-47(50)55-57-53(56-54(58-55)44-21-11-16-33-12-3-6-18-40(33)44)38-26-27-41-37(28-38)25-24-34-13-4-5-17-39(34)41/h1-32H
InChIKeySKQVEYNVJALTNZ-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-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-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 163792015
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514
12-[3-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 166699684
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714677
12-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-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 167347535
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043111
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 155037672) is 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2c(cc1-c1nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4ccccc34)n1)oc1ccccc12.
What is the InChIKey of 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is SKQVEYNVJALTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c1-2-15-36-30-49-45(29-35(36)14-1)42-19-7-9-22-48(42)59(49)50-31-46-43-20-8-10-23-51(43)60-52(46)32-47(50)55-57-53(56-54(58-55)44-21-11-16-33-12-3-6-18-40(33)44)38-26-27-41-37(28-38)25-24-34-13-4-5-17-39(34)41/h1-32H.
What are the key properties of 5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-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-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155037672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).