4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine

C45H29N3O — CID 167030408

IUPAC4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4ccccc4c3)N=C(c3c(-c4cc5ccccc5c5ccccc45)ccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H29N3O/c1-2-13-29(14-3-1)43-46-44(32-23-22-28-12-4-5-15-30(28)26-32)48-45(47-43)42-36(24-25-40-41(42)37-20-10-11-21-39(37)49-40)38-27-31-16-6-7-17-33(31)34-18-8-9-19-35(34)38/h1-27,43H,(H,46,47,48)
InChIKeyRQQRZBZNRPUYHM-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.21
Rot. Bonds4

About 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine

4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 167030408) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID167030408
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4ccccc4c3)N=C(c3c(-c4cc5ccccc5c5ccccc45)ccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H29N3O/c1-2-13-29(14-3-1)43-46-44(32-23-22-28-12-4-5-15-30(28)26-32)48-45(47-43)42-36(24-25-40-41(42)37-20-10-11-21-39(37)49-40)38-27-31-16-6-7-17-33(31)34-18-8-9-19-35(34)38/h1-27,43H,(H,46,47,48)
InChIKeyRQQRZBZNRPUYHM-UHFFFAOYSA-N
XLogP11.21
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008301
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801524
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 163769407
4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
4-naphthalen-2-yl-6-phenanthren-2-yl-2-[4-(7-phenanthren-9-yldibenzofuran-1-yl)naphthalen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167029446
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
4-(2-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248582

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 167030408) is 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3ccc4ccccc4c3)N=C(c3c(-c4cc5ccccc5c5ccccc45)ccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is RQQRZBZNRPUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-2-13-29(14-3-1)43-46-44(32-23-22-28-12-4-5-15-30(28)26-32)48-45(47-43)42-36(24-25-40-41(42)37-20-10-11-21-39(37)49-40)38-27-31-16-6-7-17-33(31)34-18-8-9-19-35(34)38/h1-27,43H,(H,46,47,48).
What are the key properties of 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167030408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).