1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine

C52H33N3O2 — CID 170230680

IUPAC1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2cccc3oc4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4c23)=NC1c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C52H33N3O2/c1-55-51(33-12-3-2-4-13-33)53-50(54-52(55)37-24-23-32-22-21-31-11-7-8-16-38(31)41(32)29-37)40-18-10-20-46-49(40)42-28-36(25-26-44(42)56-46)39-17-9-19-45-48(39)43-27-34-14-5-6-15-35(34)30-47(43)57-45/h2-30,52H,1H3
InChIKeyDMYOQJSOXWCZRW-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.45
Rot. Bonds4

About 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine

1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine (PubChem CID 170230680) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
PubChem CID170230680
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC Name1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2cccc3oc4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4c23)=NC1c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C52H33N3O2/c1-55-51(33-12-3-2-4-13-33)53-50(54-52(55)37-24-23-32-22-21-31-11-7-8-16-38(31)41(32)29-37)40-18-10-20-46-49(40)42-28-36(25-26-44(42)56-46)39-17-9-19-45-48(39)43-27-34-14-5-6-15-35(34)30-47(43)57-45/h2-30,52H,1H3
InChIKeyDMYOQJSOXWCZRW-UHFFFAOYSA-N
XLogP13.45
TPSA54.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-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-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132
2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine
CID 170132488
2-[3-(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)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166848511
2-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163688076
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 156646879
6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine
CID 171587273
2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine
CID 155201291
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine?
The IUPAC name of 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine (CID 170230680) is 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine.
What is the SMILES notation for 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine?
The canonical SMILES for 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2cccc3oc4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4c23)=NC1c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine?
The InChIKey is DMYOQJSOXWCZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-55-51(33-12-3-2-4-13-33)53-50(54-52(55)37-24-23-32-22-21-31-11-7-8-16-38(31)41(32)29-37)40-18-10-20-46-49(40)42-28-36(25-26-44(42)56-46)39-17-9-19-45-48(39)43-27-34-14-5-6-15-35(34)30-47(43)57-45/h2-30,52H,1H3.
What are the key properties of 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine?
1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine has a molecular weight of 731.86 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine is sourced from PubChem (CID 170230680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).