2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine

C45H27N3O — CID 177130877

IUPAC2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5c(-c5ccccc5)c34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-3-13-28(14-4-1)41-34-20-10-8-18-31(34)26-40-42(41)37-24-23-32(27-39(37)49-40)44-46-43(29-15-5-2-6-16-29)47-45(48-44)38-25-30-17-7-9-19-33(30)35-21-11-12-22-36(35)38/h1-27H
InChIKeyLKOFOQVDJDZDAY-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine

2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine (PubChem CID 177130877) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
PubChem CID177130877
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5c(-c5ccccc5)c34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-3-13-28(14-4-1)41-34-20-10-8-18-31(34)26-40-42(41)37-24-23-32(27-39(37)49-40)44-46-43(29-15-5-2-6-16-29)47-45(48-44)38-25-30-17-7-9-19-33(30)35-21-11-12-22-36(35)38/h1-27H
InChIKeyLKOFOQVDJDZDAY-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130823
2-naphthalen-2-yl-4-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130712
2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743004
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180
2-(3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26,28-tetradecaen-12-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 163531791
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147818136
2-phenanthren-9-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176617071
2-phenanthren-9-yl-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798054
2-(7,9-diphenyldibenzofuran-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7,9-diphenyldibenzofuran-3-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7,9-diphenyldibenzofuran-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165016685
2-(7-fluoranthen-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741022
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165091111
2,4-di(phenanthren-9-yl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742560

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine (CID 177130877) is 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5c(-c5ccccc5)c34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The InChIKey is LKOFOQVDJDZDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-3-13-28(14-4-1)41-34-20-10-8-18-31(34)26-40-42(41)37-24-23-32(27-39(37)49-40)44-46-43(29-15-5-2-6-16-29)47-45(48-44)38-25-30-17-7-9-19-33(30)35-21-11-12-22-36(35)38/h1-27H.
What are the key properties of 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 177130877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).