2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine

C45H29N3O — CID 170134501

IUPAC2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine
SMILESC1=Cc2oc3cccc(-c4nc(-c5cccc(-c6ccc7ccc8ccccc8c7c6)c5)nc(-c5ccc6ccccc6c5)n4)c3c2CC1
InChIInChI=1S/C45H29N3O/c1-2-11-31-25-35(24-19-28(31)9-1)44-46-43(47-45(48-44)38-16-8-18-41-42(38)37-15-5-6-17-40(37)49-41)34-13-7-12-32(26-34)33-23-22-30-21-20-29-10-3-4-14-36(29)39(30)27-33/h1-4,6-14,16-27H,5,15H2
InChIKeyDVEKCSCFPQEDEV-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.70
Rot. Bonds4

About 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine

2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine (PubChem CID 170134501) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine
PubChem CID170134501
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine
SMILESC1=Cc2oc3cccc(-c4nc(-c5cccc(-c6ccc7ccc8ccccc8c7c6)c5)nc(-c5ccc6ccccc6c5)n4)c3c2CC1
InChIInChI=1S/C45H29N3O/c1-2-11-31-25-35(24-19-28(31)9-1)44-46-43(47-45(48-44)38-16-8-18-41-42(38)37-15-5-6-17-40(37)49-41)34-13-7-12-32(26-34)33-23-22-30-21-20-29-10-3-4-14-36(29)39(30)27-33/h1-4,6-14,16-27H,5,15H2
InChIKeyDVEKCSCFPQEDEV-UHFFFAOYSA-N
XLogP11.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine 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

2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-[6-(6,7-dihydrodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171587095
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167007593
2-naphthalen-2-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166848571
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 167008000
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 166742467
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 169053906
2-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-8-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 170220980
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine (CID 170134501) is 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine is C1=Cc2oc3cccc(-c4nc(-c5cccc(-c6ccc7ccc8ccccc8c7c6)c5)nc(-c5ccc6ccccc6c5)n4)c3c2CC1.
What is the InChIKey of 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine?
The InChIKey is DVEKCSCFPQEDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-2-11-31-25-35(24-19-28(31)9-1)44-46-43(47-45(48-44)38-16-8-18-41-42(38)37-15-5-6-17-40(37)49-41)34-13-7-12-32(26-34)33-23-22-30-21-20-29-10-3-4-14-36(29)39(30)27-33/h1-4,6-14,16-27H,5,15H2.
What are the key properties of 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine?
2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170134501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).