7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole

C48H31N5O — CID 176756191

IUPAC7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3cccc(-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)c1
InChIInChI=1S/C48H31N5O/c1-28-24-29(2)26-31(25-28)47-49-41-19-11-18-39(44(41)54-47)46-50-45(51-48(52-46)53-42-20-9-7-16-37(42)38-17-8-10-21-43(38)53)30-22-23-36-34-14-4-3-12-32(34)33-13-5-6-15-35(33)40(36)27-30/h3-27H,1-2H3
InChIKeyLZXSAQVJZBAYQE-UHFFFAOYSA-N
MW693.81 g/mol
LogP12.19
Rot. Bonds4

About 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole

7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole (PubChem CID 176756191) has the molecular formula C48H31N5O and a molecular weight of 693.81 g/mol. Its IUPAC name is 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
PubChem CID176756191
Molecular FormulaC48H31N5O
Molecular Weight693.81 g/mol
Exact Mass693.25
IUPAC Name7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3cccc(-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)c1
InChIInChI=1S/C48H31N5O/c1-28-24-29(2)26-31(25-28)47-49-41-19-11-18-39(44(41)54-47)46-50-45(51-48(52-46)53-42-20-9-7-16-37(42)38-17-8-10-21-43(38)53)30-22-23-36-34-14-4-3-12-32(34)33-13-5-6-15-35(33)40(36)27-30/h3-27H,1-2H3
InChIKeyLZXSAQVJZBAYQE-UHFFFAOYSA-N
XLogP12.19
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756182
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756280
7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 166583284
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
2-phenyl-7-[4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582925
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 170681615
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole (CID 176756191) is 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole is Cc1cc(C)cc(-c2nc3cccc(-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)c1.
What is the InChIKey of 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The InChIKey is LZXSAQVJZBAYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5O/c1-28-24-29(2)26-31(25-28)47-49-41-19-11-18-39(44(41)54-47)46-50-45(51-48(52-46)53-42-20-9-7-16-37(42)38-17-8-10-21-43(38)53)30-22-23-36-34-14-4-3-12-32(34)33-13-5-6-15-35(33)40(36)27-30/h3-27H,1-2H3.
What are the key properties of 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole has a molecular weight of 693.81 g/mol, XLogP of 12.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 176756191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).