1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline

C44H26N4O — CID 174296320

IUPAC1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc5ccc6ccc7ccccc7c6c45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-2-11-29(12-3-1)42-46-43(48-44(47-42)35-17-9-19-38-40(35)34-16-6-7-18-37(34)49-38)31-14-8-13-30(26-31)33-24-25-45-36-23-22-28-21-20-27-10-4-5-15-32(27)39(28)41(33)36/h1-26H
InChIKeyXPPUQXKTHUMYQX-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.29
Rot. Bonds4

About 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline

1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline (PubChem CID 174296320) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline.

Molecular Properties

Compound Name1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline
PubChem CID174296320
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc5ccc6ccc7ccccc7c6c45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-2-11-29(12-3-1)42-46-43(48-44(47-42)35-17-9-19-38-40(35)34-16-6-7-18-37(34)49-38)31-14-8-13-30(26-31)33-24-25-45-36-23-22-28-21-20-27-10-4-5-15-32(27)39(28)41(33)36/h1-26H
InChIKeyXPPUQXKTHUMYQX-UHFFFAOYSA-N
XLogP11.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline with MolForge

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine
CID 160755193
9-[4-(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764282
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2-dibenzofuran-1-yl-4-[3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167411949
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine
CID 162244193
2-dibenzofuran-1-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-8-yl)-6-phenyl-1,3,5-triazine
CID 166848478

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline?
The IUPAC name of 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline (CID 174296320) is 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline.
What is the SMILES notation for 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline?
The canonical SMILES for 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline is c1ccc(-c2nc(-c3cccc(-c4ccnc5ccc6ccc7ccccc7c6c45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline?
The InChIKey is XPPUQXKTHUMYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-2-11-29(12-3-1)42-46-43(48-44(47-42)35-17-9-19-38-40(35)34-16-6-7-18-37(34)49-38)31-14-8-13-30(26-31)33-24-25-45-36-23-22-28-21-20-27-10-4-5-15-32(27)39(28)41(33)36/h1-26H.
What are the key properties of 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline?
1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline has a molecular weight of 626.72 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline is sourced from PubChem (CID 174296320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).