2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

C51H33N3O — CID 167030224

IUPAC2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc4oc5cccc(C6N=C(c7ccc8ccccc8c7)NC(c7ccc8ccc9ccccc9c8c7)=N6)c5c34)c2)cc1
InChIInChI=1S/C51H33N3O/c1-2-11-32(12-3-1)37-16-8-17-38(29-37)42-19-9-21-45-47(42)48-43(20-10-22-46(48)55-45)51-53-49(39-27-23-33-13-4-5-15-36(33)30-39)52-50(54-51)40-28-26-35-25-24-34-14-6-7-18-41(34)44(35)31-40/h1-31,51H,(H,52,53,54)
InChIKeyATCYNGIVSWKNQO-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.88
Rot. Bonds5

About 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 167030224) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID167030224
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc4oc5cccc(C6N=C(c7ccc8ccccc8c7)NC(c7ccc8ccc9ccccc9c8c7)=N6)c5c34)c2)cc1
InChIInChI=1S/C51H33N3O/c1-2-11-32(12-3-1)37-16-8-17-38(29-37)42-19-9-21-45-47(42)48-43(20-10-22-46(48)55-45)51-53-49(39-27-23-33-13-4-5-15-36(33)30-39)52-50(54-51)40-28-26-35-25-24-34-14-6-7-18-41(34)44(35)31-40/h1-31,51H,(H,52,53,54)
InChIKeyATCYNGIVSWKNQO-UHFFFAOYSA-N
XLogP12.88
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.88
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

4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (CID 167030224) is 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc4oc5cccc(C6N=C(c7ccc8ccccc8c7)NC(c7ccc8ccc9ccccc9c8c7)=N6)c5c34)c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is ATCYNGIVSWKNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-2-11-32(12-3-1)37-16-8-17-38(29-37)42-19-9-21-45-47(42)48-43(20-10-22-46(48)55-45)51-53-49(39-27-23-33-13-4-5-15-36(33)30-39)52-50(54-51)40-28-26-35-25-24-34-14-6-7-18-41(34)44(35)31-40/h1-31,51H,(H,52,53,54).
What are the key properties of 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 12.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167030224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).