2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine

C43H25N3O — CID 169278676

IUPAC2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine
SMILESc1ccc2c(c1)cc(-c1nc(-c3cccc4ccc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n1)c1ccccc12
InChIInChI=1S/C43H25N3O/c1-4-15-30-26(11-1)23-24-27-13-9-19-34(39(27)30)41-44-42(35-20-10-22-38-40(35)33-18-7-8-21-37(33)47-38)46-43(45-41)36-25-28-12-2-3-14-29(28)31-16-5-6-17-32(31)36/h1-25H
InChIKeyCWVVVXZZRFTASH-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.38
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine (PubChem CID 169278676) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine
PubChem CID169278676
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine
SMILESc1ccc2c(c1)cc(-c1nc(-c3cccc4ccc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n1)c1ccccc12
InChIInChI=1S/C43H25N3O/c1-4-15-30-26(11-1)23-24-27-13-9-19-34(39(27)30)41-44-42(35-20-10-22-38-40(35)33-18-7-8-21-37(33)47-38)46-43(45-41)36-25-28-12-2-3-14-29(28)31-16-5-6-17-32(31)36/h1-25H
InChIKeyCWVVVXZZRFTASH-UHFFFAOYSA-N
XLogP11.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 161400704
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 169053906
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
9-(4-dibenzofuran-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 166801334
4-(4-dibenzofuran-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785526
9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole
CID 169278877
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 166742425
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
4-dibenzofuran-1-yl-2-(10-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)quinazoline
CID 167087660

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine (CID 169278676) is 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine is c1ccc2c(c1)cc(-c1nc(-c3cccc4ccc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n1)c1ccccc12.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine?
The InChIKey is CWVVVXZZRFTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-4-15-30-26(11-1)23-24-27-13-9-19-34(39(27)30)41-44-42(35-20-10-22-38-40(35)33-18-7-8-21-37(33)47-38)46-43(45-41)36-25-28-12-2-3-14-29(28)31-16-5-6-17-32(31)36/h1-25H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine has a molecular weight of 599.69 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine is sourced from PubChem (CID 169278676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).