6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole

C56H34N4O — CID 163520765

IUPAC6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(-c2nc3c4ccc(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c3o2)cc1
InChIInChI=1S/C56H34N4O/c1-2-14-41(15-3-1)56-57-51-47-33-32-42(34-50(47)46-20-8-9-21-48(46)52(51)61-56)35-24-28-39(29-25-35)53-58-54(60-55(59-53)49-23-11-17-37-13-5-7-19-45(37)49)40-30-26-38(27-31-40)44-22-10-16-36-12-4-6-18-43(36)44/h1-34H
InChIKeyDKPHAAXNVMBGJZ-UHFFFAOYSA-N
MW778.92 g/mol
LogP14.63
Rot. Bonds6

About 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole

6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole (PubChem CID 163520765) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole
PubChem CID163520765
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC Name6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(-c2nc3c4ccc(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c3o2)cc1
InChIInChI=1S/C56H34N4O/c1-2-14-41(15-3-1)56-57-51-47-33-32-42(34-50(47)46-20-8-9-21-48(46)52(51)61-56)35-24-28-39(29-25-35)53-58-54(60-55(59-53)49-23-11-17-37-13-5-7-19-45(37)49)40-30-26-38(27-31-40)44-22-10-16-36-12-4-6-18-43(36)44/h1-34H
InChIKeyDKPHAAXNVMBGJZ-UHFFFAOYSA-N
XLogP14.63
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole with MolForge

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Related Compounds

2-phenyl-10-[4-[4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 163462812
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085851
16-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086048
2-phenyl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 176764298
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085870
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262
2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166048411
2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143605
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylphenanthro[9,10-d][1,3]oxazole
CID 163798639
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole (CID 163520765) is 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole is c1ccc(-c2nc3c4ccc(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7cccc8ccccc78)n6)cc5)cc4c4ccccc4c3o2)cc1.
What is the InChIKey of 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole?
The InChIKey is DKPHAAXNVMBGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-2-14-41(15-3-1)56-57-51-47-33-32-42(34-50(47)46-20-8-9-21-48(46)52(51)61-56)35-24-28-39(29-25-35)53-58-54(60-55(59-53)49-23-11-17-37-13-5-7-19-45(37)49)40-30-26-38(27-31-40)44-22-10-16-36-12-4-6-18-43(36)44/h1-34H.
What are the key properties of 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole?
6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole has a molecular weight of 778.92 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 163520765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).