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

C51H32N4O — CID 166700827

IUPAC5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(C2=NC(c3cccc4ccccc34)=NC(c3cccc4ccccc34)N2)c2oc3ccccc3c2c1
InChIInChI=1S/C51H32N4O/c1-2-16-34-28-46-42(27-33(34)15-1)38-21-7-9-25-45(38)55(46)35-29-43-39-22-8-10-26-47(39)56-48(43)44(30-35)51-53-49(40-23-11-17-31-13-3-5-19-36(31)40)52-50(54-51)41-24-12-18-32-14-4-6-20-37(32)41/h1-30,49H,(H,52,53,54)
InChIKeyCIGIXXCGEUMAEL-UHFFFAOYSA-N
MW716.84 g/mol
LogP12.64
Rot. Bonds4

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

5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 166700827) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID166700827
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(C2=NC(c3cccc4ccccc34)=NC(c3cccc4ccccc34)N2)c2oc3ccccc3c2c1
InChIInChI=1S/C51H32N4O/c1-2-16-34-28-46-42(27-33(34)15-1)38-21-7-9-25-45(38)55(46)35-29-43-39-22-8-10-26-47(39)56-48(43)44(30-35)51-53-49(40-23-11-17-31-13-3-5-19-36(31)40)52-50(54-51)41-24-12-18-32-14-4-6-20-37(32)41/h1-30,49H,(H,52,53,54)
InChIKeyCIGIXXCGEUMAEL-UHFFFAOYSA-N
XLogP12.64
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 512.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-carbazol-9-yl-2-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699207
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
12-[1-[2-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)-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 167043912
5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
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-dibenzothiophen-2-yl-5-ethyl-6-naphthalen-1-yl-1,4,5,6-tetrahydropyrimidin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699851
12-[1-(2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-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 166700298
5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 166699900
12-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166699577
5-[2-(2-naphthalen-2-yl-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166700313
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 166700827) is 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(C2=NC(c3cccc4ccccc34)=NC(c3cccc4ccccc34)N2)c2oc3ccccc3c2c1.
What is the InChIKey of 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is CIGIXXCGEUMAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-2-16-34-28-46-42(27-33(34)15-1)38-21-7-9-25-45(38)55(46)35-29-43-39-22-8-10-26-47(39)56-48(43)44(30-35)51-53-49(40-23-11-17-31-13-3-5-19-36(31)40)52-50(54-51)41-24-12-18-32-14-4-6-20-37(32)41/h1-30,49H,(H,52,53,54).
What are the key properties of 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 716.84 g/mol, XLogP of 12.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166700827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).